1-cyclohexylsulfanyldecan-3-amine

C16H33NS — CID 142946145

IUPAC1-cyclohexylsulfanyldecan-3-amine
SMILESCCCCCCCC(N)CCSC1CCCCC1
InChIInChI=1S/C16H33NS/c1-2-3-4-5-7-10-15(17)13-14-18-16-11-8-6-9-12-16/h15-16H,2-14,17H2,1H3
InChIKeyKYXUABQJUXFPCF-UHFFFAOYSA-N
MW271.51 g/mol
LogP5.13
Rot. Bonds10

About 1-cyclohexylsulfanyldecan-3-amine

1-cyclohexylsulfanyldecan-3-amine (PubChem CID 142946145) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is 1-cyclohexylsulfanyldecan-3-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyldecan-3-amine
PubChem CID142946145
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC Name1-cyclohexylsulfanyldecan-3-amine
SMILESCCCCCCCC(N)CCSC1CCCCC1
InChIInChI=1S/C16H33NS/c1-2-3-4-5-7-10-15(17)13-14-18-16-11-8-6-9-12-16/h15-16H,2-14,17H2,1H3
InChIKeyKYXUABQJUXFPCF-UHFFFAOYSA-N
XLogP5.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.51
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclohexylsulfanyldecan-3-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-cyclohexylsulfanylundecan-2-amine
CID 65139901
1-cyclohexylsulfanylnonan-2-amine
CID 65139649
nonylsulfanylcyclohexane
CID 14783593
octadecylsulfanylcyclohexane
CID 19905552
octylsulfanylcycloheptane
CID 70441156
hexylsulfanylcyclopentane
CID 534970
butylsulfanylcycloheptane
CID 14970942
6-cyclohexylsulfanylhexan-2-amine
CID 64633438
1-cycloheptylheptan-2-amine
CID 115837607
1-cyclopentylundecan-3-amine
CID 115835660
4,4-bis(3-cyclohexylsulfanylpropyl)decylsulfanylcyclohexane
CID 167565445
1-cyclohexylsulfanyl-N-methyloctan-2-amine
CID 65139910

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyldecan-3-amine?
The IUPAC name of 1-cyclohexylsulfanyldecan-3-amine (CID 142946145) is 1-cyclohexylsulfanyldecan-3-amine.
What is the SMILES notation for 1-cyclohexylsulfanyldecan-3-amine?
The canonical SMILES for 1-cyclohexylsulfanyldecan-3-amine is CCCCCCCC(N)CCSC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanyldecan-3-amine?
The InChIKey is KYXUABQJUXFPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-2-3-4-5-7-10-15(17)13-14-18-16-11-8-6-9-12-16/h15-16H,2-14,17H2,1H3.
What are the key properties of 1-cyclohexylsulfanyldecan-3-amine?
1-cyclohexylsulfanyldecan-3-amine has a molecular weight of 271.51 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyldecan-3-amine is sourced from PubChem (CID 142946145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).