N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide

C10H20ClNO3S — CID 65030726

IUPACN-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1(CCl)CCCC1
InChIInChI=1S/C10H20ClNO3S/c1-2-15-7-8-16(13,14)12-10(9-11)5-3-4-6-10/h12H,2-9H2,1H3
InChIKeyWLVAGSHTFHGNAQ-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.49
Rot. Bonds7

About N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide

N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide (PubChem CID 65030726) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide
PubChem CID65030726
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1(CCl)CCCC1
InChIInChI=1S/C10H20ClNO3S/c1-2-15-7-8-16(13,14)12-10(9-11)5-3-4-6-10/h12H,2-9H2,1H3
InChIKeyWLVAGSHTFHGNAQ-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide (CID 65030726) is N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NC1(CCl)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
The InChIKey is WLVAGSHTFHGNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-2-15-7-8-16(13,14)12-10(9-11)5-3-4-6-10/h12H,2-9H2,1H3.
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide has a molecular weight of 269.79 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 65030726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).