N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

C18H31N5OS — CID 7451183

IUPACN-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCSc1nnc([C@H]2CCCN(CC(=O)N[C@H]3CCCC[C@@H]3C)C2)n1C
InChIInChI=1S/C18H31N5OS/c1-13-7-4-5-9-15(13)19-16(24)12-23-10-6-8-14(11-23)17-20-21-18(25-3)22(17)2/h13-15H,4-12H2,1-3H3,(H,19,24)/t13-,14-,15-/m0/s1
InChIKeyKWVPCEYTUUHIGH-KKUMJFAQSA-N
MW365.55 g/mol
LogP2.41
Rot. Bonds5

About N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 7451183) has the molecular formula C18H31N5OS and a molecular weight of 365.55 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
PubChem CID7451183
Molecular FormulaC18H31N5OS
Molecular Weight365.55 g/mol
Exact Mass365.22
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCSc1nnc([C@H]2CCCN(CC(=O)N[C@H]3CCCC[C@@H]3C)C2)n1C
InChIInChI=1S/C18H31N5OS/c1-13-7-4-5-9-15(13)19-16(24)12-23-10-6-8-14(11-23)17-20-21-18(25-3)22(17)2/h13-15H,4-12H2,1-3H3,(H,19,24)/t13-,14-,15-/m0/s1
InChIKeyKWVPCEYTUUHIGH-KKUMJFAQSA-N
XLogP2.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide 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

2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 7451211
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 62356455
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9389557
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 6489368
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904053
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 94178566
1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8546110
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 94595136
N-(2-methylcyclohexyl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 134051309

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (CID 7451183) is N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is CSc1nnc([C@H]2CCCN(CC(=O)N[C@H]3CCCC[C@@H]3C)C2)n1C.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is KWVPCEYTUUHIGH-KKUMJFAQSA-N. The full InChI is InChI=1S/C18H31N5OS/c1-13-7-4-5-9-15(13)19-16(24)12-23-10-6-8-14(11-23)17-20-21-18(25-3)22(17)2/h13-15H,4-12H2,1-3H3,(H,19,24)/t13-,14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 365.55 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 7451183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).