N-[(3-methylcyclohexyl)methyl]thian-4-amine

C13H25NS — CID 115592505

IUPACN-[(3-methylcyclohexyl)methyl]thian-4-amine
SMILESCC1CCCC(CNC2CCSCC2)C1
InChIInChI=1S/C13H25NS/c1-11-3-2-4-12(9-11)10-14-13-5-7-15-8-6-13/h11-14H,2-10H2,1H3
InChIKeyGUVBWCPYXLURLT-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.30
Rot. Bonds3

About N-[(3-methylcyclohexyl)methyl]thian-4-amine

N-[(3-methylcyclohexyl)methyl]thian-4-amine (PubChem CID 115592505) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]thian-4-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]thian-4-amine
PubChem CID115592505
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN-[(3-methylcyclohexyl)methyl]thian-4-amine
SMILESCC1CCCC(CNC2CCSCC2)C1
InChIInChI=1S/C13H25NS/c1-11-3-2-4-12(9-11)10-14-13-5-7-15-8-6-13/h11-14H,2-10H2,1H3
InChIKeyGUVBWCPYXLURLT-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-methylcyclohexyl)methyl]thian-4-amine 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-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 115654559
N-(cycloheptylmethyl)thian-4-amine
CID 115685592
3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine
CID 104589902
N-[(3-methylcyclopentyl)methyl]cyclohexanamine
CID 107412033
N-[(3-aminocyclopentyl)methyl]thian-4-amine
CID 105468128
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246
N-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115881259
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
N-(3-methylcyclohexyl)thian-4-amine
CID 43428241
3-[[(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 115654560
N-[(4-methylcyclohexyl)methyl]thiolan-3-amine
CID 63242851
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]thian-4-amine?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]thian-4-amine (CID 115592505) is N-[(3-methylcyclohexyl)methyl]thian-4-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]thian-4-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]thian-4-amine is CC1CCCC(CNC2CCSCC2)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]thian-4-amine?
The InChIKey is GUVBWCPYXLURLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-11-3-2-4-12(9-11)10-14-13-5-7-15-8-6-13/h11-14H,2-10H2,1H3.
What are the key properties of N-[(3-methylcyclohexyl)methyl]thian-4-amine?
N-[(3-methylcyclohexyl)methyl]thian-4-amine has a molecular weight of 227.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)methyl]thian-4-amine is sourced from PubChem (CID 115592505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).