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

C11H23NS — CID 115901653

IUPACN-(1-methylsulfanylbutan-2-yl)cyclohexanamine
SMILESCCC(CSC)NC1CCCCC1
InChIInChI=1S/C11H23NS/c1-3-10(9-13-2)12-11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3
InChIKeyNETYLGOYNNGOLB-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.05
Rot. Bonds5

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

N-(1-methylsulfanylbutan-2-yl)cyclohexanamine (PubChem CID 115901653) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-(1-methylsulfanylbutan-2-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(1-methylsulfanylbutan-2-yl)cyclohexanamine
PubChem CID115901653
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-(1-methylsulfanylbutan-2-yl)cyclohexanamine
SMILESCCC(CSC)NC1CCCCC1
InChIInChI=1S/C11H23NS/c1-3-10(9-13-2)12-11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3
InChIKeyNETYLGOYNNGOLB-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-methylsulfanylbutan-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

Related Compounds

N-(1-methylsulfanylbutan-2-yl)thian-4-amine
CID 115901705
N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
CID 115901812
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
3-(cyclopentylamino)-4-methylsulfanylbutan-1-ol
CID 111449593
N-(1-methylsulfanylbutan-2-yl)-1,1-dioxothian-3-amine
CID 115901614
N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine
CID 115901781
N-(1-methylsulfanylpropan-2-yl)cyclopentanamine
CID 115721778
N-(3-ethylpentan-2-yl)cyclohexanamine
CID 63842425
2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol
CID 64806225
N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115901796
4-methyl-N-pentan-3-ylcycloheptan-1-amine
CID 65081260
N-hexan-3-ylcyclopropanamine
CID 103920845

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylbutan-2-yl)cyclohexanamine?
The IUPAC name of N-(1-methylsulfanylbutan-2-yl)cyclohexanamine (CID 115901653) is N-(1-methylsulfanylbutan-2-yl)cyclohexanamine.
What is the SMILES notation for N-(1-methylsulfanylbutan-2-yl)cyclohexanamine?
The canonical SMILES for N-(1-methylsulfanylbutan-2-yl)cyclohexanamine is CCC(CSC)NC1CCCCC1.
What is the InChIKey of N-(1-methylsulfanylbutan-2-yl)cyclohexanamine?
The InChIKey is NETYLGOYNNGOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-3-10(9-13-2)12-11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(1-methylsulfanylbutan-2-yl)cyclohexanamine?
N-(1-methylsulfanylbutan-2-yl)cyclohexanamine has a molecular weight of 201.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylbutan-2-yl)cyclohexanamine is sourced from PubChem (CID 115901653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).