3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide

C15H28N4O2S — CID 97344909

IUPAC3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide
SMILESCC(C)c1nnc2n1C[C@@H](NS(=O)(=O)CCC(C)(C)C)CC2
InChIInChI=1S/C15H28N4O2S/c1-11(2)14-17-16-13-7-6-12(10-19(13)14)18-22(20,21)9-8-15(3,4)5/h11-12,18H,6-10H2,1-5H3/t12-/m0/s1
InChIKeyWPWYLBXJSXEQMV-LBPRGKRZSA-N
MW328.48 g/mol
LogP2.07
Rot. Bonds5

About 3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide

3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide (PubChem CID 97344909) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide
PubChem CID97344909
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Name3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide
SMILESCC(C)c1nnc2n1C[C@@H](NS(=O)(=O)CCC(C)(C)C)CC2
InChIInChI=1S/C15H28N4O2S/c1-11(2)14-17-16-13-7-6-12(10-19(13)14)18-22(20,21)9-8-15(3,4)5/h11-12,18H,6-10H2,1-5H3/t12-/m0/s1
InChIKeyWPWYLBXJSXEQMV-LBPRGKRZSA-N
XLogP2.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide (CID 97344909) is 3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide is CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)CCC(C)(C)C)CC2.
What is the InChIKey of 3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide?
The InChIKey is WPWYLBXJSXEQMV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-11(2)14-17-16-13-7-6-12(10-19(13)14)18-22(20,21)9-8-15(3,4)5/h11-12,18H,6-10H2,1-5H3/t12-/m0/s1.
What are the key properties of 3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide?
3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide has a molecular weight of 328.48 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide is sourced from PubChem (CID 97344909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).