N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide

C12H20ClNO3S — CID 64906251

IUPACN-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide
SMILESO=C(C1CCS(=O)(=O)C1)N(CCCl)C1CCCC1
InChIInChI=1S/C12H20ClNO3S/c13-6-7-14(11-3-1-2-4-11)12(15)10-5-8-18(16,17)9-10/h10-11H,1-9H2
InChIKeyLAPNLXJDUKJPRX-UHFFFAOYSA-N
MW293.82 g/mol
LogP1.43
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide

N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide (PubChem CID 64906251) has the molecular formula C12H20ClNO3S and a molecular weight of 293.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide
PubChem CID64906251
Molecular FormulaC12H20ClNO3S
Molecular Weight293.82 g/mol
Exact Mass293.09
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide
SMILESO=C(C1CCS(=O)(=O)C1)N(CCCl)C1CCCC1
InChIInChI=1S/C12H20ClNO3S/c13-6-7-14(11-3-1-2-4-11)12(15)10-5-8-18(16,17)9-10/h10-11H,1-9H2
InChIKeyLAPNLXJDUKJPRX-UHFFFAOYSA-N
XLogP1.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide
CID 54942759
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
N-(2-chloroethyl)-1,1-dioxo-N-propylthiolane-3-carboxamide
CID 64906671
1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride
CID 119826248
N-ethyl-1,1-dioxo-N-pyrrolidin-3-ylthiolane-3-carboxamide
CID 63299474
methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952441
2-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978363
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone
CID 115336272
(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide
CID 95266358
N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 127393578
1-[(1,1-dioxothiolane-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120540077

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide (CID 64906251) is N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide is O=C(C1CCS(=O)(=O)C1)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide?
The InChIKey is LAPNLXJDUKJPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO3S/c13-6-7-14(11-3-1-2-4-11)12(15)10-5-8-18(16,17)9-10/h10-11H,1-9H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide?
N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide has a molecular weight of 293.82 g/mol, XLogP of 1.43, 4 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-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 64906251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).