N-(3-ethylsulfanylpropyl)cyclohexanamine

C11H23NS — CID 62577534

IUPACN-(3-ethylsulfanylpropyl)cyclohexanamine
SMILESCCSCCCNC1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-13-10-6-9-12-11-7-4-3-5-8-11/h11-12H,2-10H2,1H3
InChIKeyVDCKIGBZGYBDHN-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.05
Rot. Bonds6

About N-(3-ethylsulfanylpropyl)cyclohexanamine

N-(3-ethylsulfanylpropyl)cyclohexanamine (PubChem CID 62577534) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)cyclohexanamine
PubChem CID62577534
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-(3-ethylsulfanylpropyl)cyclohexanamine
SMILESCCSCCCNC1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-13-10-6-9-12-11-7-4-3-5-8-11/h11-12H,2-10H2,1H3
InChIKeyVDCKIGBZGYBDHN-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

Analyze N-(3-ethylsulfanylpropyl)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-(3-ethylsulfanylpropyl)cyclohexanamine?
The IUPAC name of N-(3-ethylsulfanylpropyl)cyclohexanamine (CID 62577534) is N-(3-ethylsulfanylpropyl)cyclohexanamine.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)cyclohexanamine?
The canonical SMILES for N-(3-ethylsulfanylpropyl)cyclohexanamine is CCSCCCNC1CCCCC1.
What is the InChIKey of N-(3-ethylsulfanylpropyl)cyclohexanamine?
The InChIKey is VDCKIGBZGYBDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-2-13-10-6-9-12-11-7-4-3-5-8-11/h11-12H,2-10H2,1H3.
What are the key properties of N-(3-ethylsulfanylpropyl)cyclohexanamine?
N-(3-ethylsulfanylpropyl)cyclohexanamine has a molecular weight of 201.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)cyclohexanamine is sourced from PubChem (CID 62577534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).