1-cyclohexylsulfanylbutan-1-amine

C10H21NS — CID 91464372

IUPAC1-cyclohexylsulfanylbutan-1-amine
SMILESCCCC(N)SC1CCCCC1
InChIInChI=1S/C10H21NS/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9-10H,2-8,11H2,1H3
InChIKeyUUIOQLVHESKKPQ-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.14
Rot. Bonds4

About 1-cyclohexylsulfanylbutan-1-amine

1-cyclohexylsulfanylbutan-1-amine (PubChem CID 91464372) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-cyclohexylsulfanylbutan-1-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanylbutan-1-amine
PubChem CID91464372
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-cyclohexylsulfanylbutan-1-amine
SMILESCCCC(N)SC1CCCCC1
InChIInChI=1S/C10H21NS/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9-10H,2-8,11H2,1H3
InChIKeyUUIOQLVHESKKPQ-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-cyclohexylsulfanylbutan-1-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

1-cyclohexylsulfanylethanamine
CID 22450260
1-cyclopentylsulfanylpentan-2-amine
CID 64628608
N-(2-cyclohexylsulfanylpropyl)pentan-2-amine
CID 62579529
3-cyclohexylsulfanylbutan-1-amine
CID 60913150
2-cyclopentylsulfanylpentanehydrazide
CID 83048342
2-cyclohexylsulfanyl-3-methylhexanoic acid
CID 107886292
1-cyclopentylsulfanyl-3-methylhexan-2-amine
CID 107896535
3-amino-2-cyclohexylsulfanylpentan-1-ol
CID 104842258
1-cyclohexylsulfanylnonan-2-amine
CID 65139649
1-cyclohexylsulfanylundecan-2-amine
CID 65139901
1-cyclohexylsulfanyldecan-3-amine
CID 142946145
2-cyclohexylsulfanylbutan-1-ol
CID 117035393

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanylbutan-1-amine?
The IUPAC name of 1-cyclohexylsulfanylbutan-1-amine (CID 91464372) is 1-cyclohexylsulfanylbutan-1-amine.
What is the SMILES notation for 1-cyclohexylsulfanylbutan-1-amine?
The canonical SMILES for 1-cyclohexylsulfanylbutan-1-amine is CCCC(N)SC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanylbutan-1-amine?
The InChIKey is UUIOQLVHESKKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-cyclohexylsulfanylbutan-1-amine?
1-cyclohexylsulfanylbutan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanylbutan-1-amine is sourced from PubChem (CID 91464372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).