N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine

C11H22ClNO2S — CID 63389277

IUPACN-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine
SMILESCS(=O)(=O)CCCN(CCCl)C1CCCC1
InChIInChI=1S/C11H22ClNO2S/c1-16(14,15)10-4-8-13(9-7-12)11-5-2-3-6-11/h11H,2-10H2,1H3
InChIKeySATHBIKZSUANIG-UHFFFAOYSA-N
MW267.82 g/mol
LogP1.90
Rot. Bonds7

About N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine

N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine (PubChem CID 63389277) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine
PubChem CID63389277
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC NameN-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine
SMILESCS(=O)(=O)CCCN(CCCl)C1CCCC1
InChIInChI=1S/C11H22ClNO2S/c1-16(14,15)10-4-8-13(9-7-12)11-5-2-3-6-11/h11H,2-10H2,1H3
InChIKeySATHBIKZSUANIG-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine?
The IUPAC name of N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine (CID 63389277) is N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine is CS(=O)(=O)CCCN(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine?
The InChIKey is SATHBIKZSUANIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-16(14,15)10-4-8-13(9-7-12)11-5-2-3-6-11/h11H,2-10H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine?
N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine has a molecular weight of 267.82 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine is sourced from PubChem (CID 63389277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).