1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide

C14H23N5O3S — CID 95148105

IUPAC1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
SMILESCc1nnc2n1C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)CC2
InChIInChI=1S/C14H23N5O3S/c1-10-16-17-13-4-3-12(9-19(10)13)15-14(20)11-5-7-18(8-6-11)23(2,21)22/h11-12H,3-9H2,1-2H3,(H,15,20)/t12-/m0/s1
InChIKeyOEJNTKKHMJTFJQ-LBPRGKRZSA-N
MW341.44 g/mol
LogP-0.31
Rot. Bonds3

About 1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide

1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide (PubChem CID 95148105) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
PubChem CID95148105
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
SMILESCc1nnc2n1C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)CC2
InChIInChI=1S/C14H23N5O3S/c1-10-16-17-13-4-3-12(9-19(10)13)15-14(20)11-5-7-18(8-6-11)23(2,21)22/h11-12H,3-9H2,1-2H3,(H,15,20)/t12-/m0/s1
InChIKeyOEJNTKKHMJTFJQ-LBPRGKRZSA-N
XLogP-0.31
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide (CID 95148105) is 1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide is Cc1nnc2n1C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)CC2.
What is the InChIKey of 1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide?
The InChIKey is OEJNTKKHMJTFJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-10-16-17-13-4-3-12(9-19(10)13)15-14(20)11-5-7-18(8-6-11)23(2,21)22/h11-12H,3-9H2,1-2H3,(H,15,20)/t12-/m0/s1.
What are the key properties of 1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 95148105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).