(2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide

C18H24FN3O4S — CID 66562864

IUPAC(2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)[C@H]3CCCO3)ccc2F)CS1(=O)=O
InChIInChI=1S/C18H24FN3O4S/c1-17(2)16(20)22-18(3,10-27(17,24)25)12-9-11(6-7-13(12)19)21-15(23)14-5-4-8-26-14/h6-7,9,14H,4-5,8,10H2,1-3H3,(H2,20,22)(H,21,23)/t14-,18+/m1/s1
InChIKeyCDSWIMKNSYLPBK-KDOFPFPSSA-N
MW397.47 g/mol
LogP1.72
Rot. Bonds3

About (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide

(2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide (PubChem CID 66562864) has the molecular formula C18H24FN3O4S and a molecular weight of 397.47 g/mol. Its IUPAC name is (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide
PubChem CID66562864
Molecular FormulaC18H24FN3O4S
Molecular Weight397.47 g/mol
Exact Mass397.15
IUPAC Name(2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)[C@H]3CCCO3)ccc2F)CS1(=O)=O
InChIInChI=1S/C18H24FN3O4S/c1-17(2)16(20)22-18(3,10-27(17,24)25)12-9-11(6-7-13(12)19)21-15(23)14-5-4-8-26-14/h6-7,9,14H,4-5,8,10H2,1-3H3,(H2,20,22)(H,21,23)/t14-,18+/m1/s1
InChIKeyCDSWIMKNSYLPBK-KDOFPFPSSA-N
XLogP1.72
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide (CID 66562864) is (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide is CC1(C)C(N)=N[C@](C)(c2cc(NC(=O)[C@H]3CCCO3)ccc2F)CS1(=O)=O.
What is the InChIKey of (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide?
The InChIKey is CDSWIMKNSYLPBK-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H24FN3O4S/c1-17(2)16(20)22-18(3,10-27(17,24)25)12-9-11(6-7-13(12)19)21-15(23)14-5-4-8-26-14/h6-7,9,14H,4-5,8,10H2,1-3H3,(H2,20,22)(H,21,23)/t14-,18+/m1/s1.
What are the key properties of (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide?
(2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide has a molecular weight of 397.47 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]oxolane-2-carboxamide is sourced from PubChem (CID 66562864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).