N-(1-methylsulfanylpropan-2-yl)cyclohexanamine

C10H21NS — CID 115721870

IUPACN-(1-methylsulfanylpropan-2-yl)cyclohexanamine
SMILESCSCC(C)NC1CCCCC1
InChIInChI=1S/C10H21NS/c1-9(8-12-2)11-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3
InChIKeyGUBCOFVTMFLOCO-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.66
Rot. Bonds4

About N-(1-methylsulfanylpropan-2-yl)cyclohexanamine

N-(1-methylsulfanylpropan-2-yl)cyclohexanamine (PubChem CID 115721870) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-(1-methylsulfanylpropan-2-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(1-methylsulfanylpropan-2-yl)cyclohexanamine
PubChem CID115721870
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-(1-methylsulfanylpropan-2-yl)cyclohexanamine
SMILESCSCC(C)NC1CCCCC1
InChIInChI=1S/C10H21NS/c1-9(8-12-2)11-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3
InChIKeyGUBCOFVTMFLOCO-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-methylsulfanylpropan-2-yl)cyclohexanamine 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 N-(1-methylsulfanylpropan-2-yl)cyclohexanamine?
The IUPAC name of N-(1-methylsulfanylpropan-2-yl)cyclohexanamine (CID 115721870) is N-(1-methylsulfanylpropan-2-yl)cyclohexanamine.
What is the SMILES notation for N-(1-methylsulfanylpropan-2-yl)cyclohexanamine?
The canonical SMILES for N-(1-methylsulfanylpropan-2-yl)cyclohexanamine is CSCC(C)NC1CCCCC1.
What is the InChIKey of N-(1-methylsulfanylpropan-2-yl)cyclohexanamine?
The InChIKey is GUBCOFVTMFLOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(8-12-2)11-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(1-methylsulfanylpropan-2-yl)cyclohexanamine?
N-(1-methylsulfanylpropan-2-yl)cyclohexanamine has a molecular weight of 187.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpropan-2-yl)cyclohexanamine is sourced from PubChem (CID 115721870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).