N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide

C10H20ClNO3S — CID 63396598

IUPACN-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C10H20ClNO3S/c1-15-8-9-16(13,14)12(7-6-11)10-4-2-3-5-10/h10H,2-9H2,1H3
InChIKeyBCXWKMHHJYYSIO-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.45
Rot. Bonds7

About N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide

N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide (PubChem CID 63396598) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide
PubChem CID63396598
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C10H20ClNO3S/c1-15-8-9-16(13,14)12(7-6-11)10-4-2-3-5-10/h10H,2-9H2,1H3
InChIKeyBCXWKMHHJYYSIO-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.45
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-cyclopentyl-2-methoxyethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide (CID 63396598) is N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide is COCCS(=O)(=O)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide?
The InChIKey is BCXWKMHHJYYSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-15-8-9-16(13,14)12(7-6-11)10-4-2-3-5-10/h10H,2-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide?
N-(2-chloroethyl)-N-cyclopentyl-2-methoxyethanesulfonamide has a molecular weight of 269.79 g/mol, XLogP of 1.45, 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-cyclopentyl-2-methoxyethanesulfonamide is sourced from PubChem (CID 63396598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).