1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide

C13H24N2O2S — CID 106495653

IUPAC1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(SCC2CCCO2)C1
InChIInChI=1S/C13H24N2O2S/c1-15-13(12(14)16)6-2-5-11(8-13)18-9-10-4-3-7-17-10/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyWTFSUUMQEQSJCW-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.28
Rot. Bonds5

About 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide

1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide (PubChem CID 106495653) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
PubChem CID106495653
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(SCC2CCCO2)C1
InChIInChI=1S/C13H24N2O2S/c1-15-13(12(14)16)6-2-5-11(8-13)18-9-10-4-3-7-17-10/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyWTFSUUMQEQSJCW-UHFFFAOYSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-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

3-(oxolan-2-ylmethylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 106495654
methyl 1-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclopentane-1-carboxylate
CID 106495655
[1-amino-3-(oxolan-2-ylmethylsulfanyl)cyclopentyl]methanol
CID 106497567
1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile
CID 106495474
1-(ethylamino)-3-propylsulfanylcyclohexane-1-carboxamide
CID 79637143
1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxamide
CID 79638293
1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 115383582
1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
CID 97222999
3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 65157180
1-(methylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1-carboxamide
CID 79635303
1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide
CID 102607420
1-(methylamino)-3-(4-nitrophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635583

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide (CID 106495653) is 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(SCC2CCCO2)C1.
What is the InChIKey of 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide?
The InChIKey is WTFSUUMQEQSJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-15-13(12(14)16)6-2-5-11(8-13)18-9-10-4-3-7-17-10/h10-11,15H,2-9H2,1H3,(H2,14,16).
What are the key properties of 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide?
1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide has a molecular weight of 272.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106495653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).