(2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide

C14H17N5OS — CID 104913128

IUPAC(2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Sc2ncn[nH]2)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H17N5OS/c20-13(12-3-1-2-8-15-12)18-10-4-6-11(7-5-10)21-14-16-9-17-19-14/h4-7,9,12,15H,1-3,8H2,(H,18,20)(H,16,17,19)/t12-/m0/s1
InChIKeySKVFKCPLLYHXRL-LBPRGKRZSA-N
MW303.39 g/mol
LogP2.04
Rot. Bonds4

About (2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide

(2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide (PubChem CID 104913128) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is (2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide
PubChem CID104913128
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name(2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Sc2ncn[nH]2)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H17N5OS/c20-13(12-3-1-2-8-15-12)18-10-4-6-11(7-5-10)21-14-16-9-17-19-14/h4-7,9,12,15H,1-3,8H2,(H,18,20)(H,16,17,19)/t12-/m0/s1
InChIKeySKVFKCPLLYHXRL-LBPRGKRZSA-N
XLogP2.04
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide
CID 81118211
N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 43426858
N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119315492
N-[4-(trifluoromethylsulfanyl)phenyl]azepane-2-carboxamide
CID 64563218
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 45116189
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 119308416
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide (CID 104913128) is (2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(Sc2ncn[nH]2)cc1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide?
The InChIKey is SKVFKCPLLYHXRL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N5OS/c20-13(12-3-1-2-8-15-12)18-10-4-6-11(7-5-10)21-14-16-9-17-19-14/h4-7,9,12,15H,1-3,8H2,(H,18,20)(H,16,17,19)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide?
(2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 104913128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).