2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine

C10H20ClNS — CID 106365119

IUPAC2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
SMILESCCSCCNC1CCCC1CCl
InChIInChI=1S/C10H20ClNS/c1-2-13-7-6-12-10-5-3-4-9(10)8-11/h9-10,12H,2-8H2,1H3
InChIKeyODYDEZMSKUDINZ-UHFFFAOYSA-N
MW221.80 g/mol
LogP2.74
Rot. Bonds6

About 2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine

2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine (PubChem CID 106365119) has the molecular formula C10H20ClNS and a molecular weight of 221.80 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
PubChem CID106365119
Molecular FormulaC10H20ClNS
Molecular Weight221.80 g/mol
Exact Mass221.10
IUPAC Name2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
SMILESCCSCCNC1CCCC1CCl
InChIInChI=1S/C10H20ClNS/c1-2-13-7-6-12-10-5-3-4-9(10)8-11/h9-10,12H,2-8H2,1H3
InChIKeyODYDEZMSKUDINZ-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-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

[2-(2-ethylsulfanylethylamino)cyclopentyl]methanol
CID 104668665
2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine
CID 106365073
2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine
CID 115896663
2-(chloromethyl)-N-(3-methoxypropyl)cyclopentan-1-amine
CID 106364907
2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
CID 106365146
N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine
CID 106365038
2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine
CID 106365168
2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106365344
2-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 106365230
2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106365327
2-(aminomethyl)-N-octylcyclopentan-1-amine
CID 115566940
N-(3-ethylsulfanylpropyl)cyclohexanamine
CID 62577534

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine (CID 106365119) is 2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine is CCSCCNC1CCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine?
The InChIKey is ODYDEZMSKUDINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNS/c1-2-13-7-6-12-10-5-3-4-9(10)8-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine?
2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine has a molecular weight of 221.80 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine is sourced from PubChem (CID 106365119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).