N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C15H23N3O3S — CID 91834031

IUPACN-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2[nH]nc(C(=O)NCC3CCS(=O)(=O)CC3)c2C1
InChIInChI=1S/C15H23N3O3S/c1-10-2-3-13-12(8-10)14(18-17-13)15(19)16-9-11-4-6-22(20,21)7-5-11/h10-11H,2-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyDCDSRBDKBXQPPR-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.09
Rot. Bonds3

About N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 91834031) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID91834031
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2[nH]nc(C(=O)NCC3CCS(=O)(=O)CC3)c2C1
InChIInChI=1S/C15H23N3O3S/c1-10-2-3-13-12(8-10)14(18-17-13)15(19)16-9-11-4-6-22(20,21)7-5-11/h10-11H,2-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyDCDSRBDKBXQPPR-UHFFFAOYSA-N
XLogP1.09
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 91834031) is N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC1CCc2[nH]nc(C(=O)NCC3CCS(=O)(=O)CC3)c2C1.
What is the InChIKey of N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is DCDSRBDKBXQPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-10-2-3-13-12(8-10)14(18-17-13)15(19)16-9-11-4-6-22(20,21)7-5-11/h10-11H,2-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothian-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 91834031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).