4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride

C63H89Cl4F3N10O15S3 — CID 162165015

IUPAC4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride
SMILESC.C.C1CCOC1.Cl.NC(=O)C12CC3CC(C1)C(N)C(C3)C2.NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccccc4F)S1(=O)=O)C(C3)C2.O=C(Cl)C(=O)Cl.O=C(Cl)CN1CCCN(c2ccccc2F)S1(=O)=O.O=C(O)CN1CCCN(c2ccccc2F)S1(=O)=O
InChIInChI=1S/C22H29FN4O4S.C11H12ClFN2O3S.C11H13FN2O4S.C11H18N2O.C4H8O.C2Cl2O2.2CH4.ClH/c23-17-4-1-2-5-18(17)27-7-3-6-26(32(27,30)31)13-19(28)25-20-15-8-14-9-16(20)12-22(10-14,11-15)21(24)29;12-11(16)8-14-6-3-7-15(19(14,17)18)10-5-2-1-4-9(10)13;12-9-4-1-2-5-10(9)14-7-3-6-13(8-11(15)16)19(14,17)18;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;1-2-4-5-3-1;3-1(5)2(4)6;;;/h1-2,4-5,14-16,20H,3,6-13H2,(H2,24,29)(H,25,28);1-2,4-5H,3,6-8H2;1-2,4-5H,3,6-8H2,(H,15,16);6-9H,1-5,12H2,(H2,13,14);1-4H2;;2*1H4;1H
InChIKeyVKDRAVFTZBPIDK-UHFFFAOYSA-N
MW1521.47 g/mol
LogP7.03
Rot. Bonds13

About 4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride

4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride (PubChem CID 162165015) has the molecular formula C63H89Cl4F3N10O15S3 and a molecular weight of 1521.47 g/mol. Its IUPAC name is 4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride.

Molecular Properties

Compound Name4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride
PubChem CID162165015
Molecular FormulaC63H89Cl4F3N10O15S3
Molecular Weight1521.47 g/mol
Exact Mass1518.44
IUPAC Name4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride
SMILESC.C.C1CCOC1.Cl.NC(=O)C12CC3CC(C1)C(N)C(C3)C2.NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccccc4F)S1(=O)=O)C(C3)C2.O=C(Cl)C(=O)Cl.O=C(Cl)CN1CCCN(c2ccccc2F)S1(=O)=O.O=C(O)CN1CCCN(c2ccccc2F)S1(=O)=O
InChIInChI=1S/C22H29FN4O4S.C11H12ClFN2O3S.C11H13FN2O4S.C11H18N2O.C4H8O.C2Cl2O2.2CH4.ClH/c23-17-4-1-2-5-18(17)27-7-3-6-26(32(27,30)31)13-19(28)25-20-15-8-14-9-16(20)12-22(10-14,11-15)21(24)29;12-11(16)8-14-6-3-7-15(19(14,17)18)10-5-2-1-4-9(10)13;12-9-4-1-2-5-10(9)14-7-3-6-13(8-11(15)16)19(14,17)18;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;1-2-4-5-3-1;3-1(5)2(4)6;;;/h1-2,4-5,14-16,20H,3,6-13H2,(H2,24,29)(H,25,28);1-2,4-5H,3,6-8H2;1-2,4-5H,3,6-8H2,(H,15,16);6-9H,1-5,12H2,(H2,13,14);1-4H2;;2*1H4;1H
InChIKeyVKDRAVFTZBPIDK-UHFFFAOYSA-N
XLogP7.03
TPSA360.90 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.47
LogP ≤ 57.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride?
The IUPAC name of 4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride (CID 162165015) is 4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride.
What is the SMILES notation for 4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride?
The canonical SMILES for 4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride is C.C.C1CCOC1.Cl.NC(=O)C12CC3CC(C1)C(N)C(C3)C2.NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccccc4F)S1(=O)=O)C(C3)C2.O=C(Cl)C(=O)Cl.O=C(Cl)CN1CCCN(c2ccccc2F)S1(=O)=O.O=C(O)CN1CCCN(c2ccccc2F)S1(=O)=O.
What is the InChIKey of 4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride?
The InChIKey is VKDRAVFTZBPIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O4S.C11H12ClFN2O3S.C11H13FN2O4S.C11H18N2O.C4H8O.C2Cl2O2.2CH4.ClH/c23-17-4-1-2-5-18(17)27-7-3-6-26(32(27,30)31)13-19(28)25-20-15-8-14-9-16(20)12-22(10-14,11-15)21(24)29;12-11(16)8-14-6-3-7-15(19(14,17)18)10-5-2-1-4-9(10)13;12-9-4-1-2-5-10(9)14-7-3-6-13(8-11(15)16)19(14,17)18;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;1-2-4-5-3-1;3-1(5)2(4)6;;;/h1-2,4-5,14-16,20H,3,6-13H2,(H2,24,29)(H,25,28);1-2,4-5H,3,6-8H2;1-2,4-5H,3,6-8H2,(H,15,16);6-9H,1-5,12H2,(H2,13,14);1-4H2;;2*1H4;1H.
What are the key properties of 4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride?
4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride has a molecular weight of 1521.47 g/mol, XLogP of 7.03, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminoadamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;2-[6-(2-fluorophenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl chloride;methane;oxalyl dichloride;oxolane;hydrochloride is sourced from PubChem (CID 162165015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).