N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide

C10H16ClNO3S — CID 106443963

IUPACN-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC1CCCC1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H16ClNO3S/c11-8-2-1-3-9(8)12-10(13)7-4-5-16(14,15)6-7/h7-9H,1-6H2,(H,12,13)
InChIKeyTVGTZFKZGRHQSI-UHFFFAOYSA-N
MW265.76 g/mol
LogP0.70
Rot. Bonds2

About N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide

N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 106443963) has the molecular formula C10H16ClNO3S and a molecular weight of 265.76 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID106443963
Molecular FormulaC10H16ClNO3S
Molecular Weight265.76 g/mol
Exact Mass265.05
IUPAC NameN-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC1CCCC1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H16ClNO3S/c11-8-2-1-3-9(8)12-10(13)7-4-5-16(14,15)6-7/h7-9H,1-6H2,(H,12,13)
InChIKeyTVGTZFKZGRHQSI-UHFFFAOYSA-N
XLogP0.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide
CID 63257894
N-[(2-chlorocyclohexyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 113272694
N-(4-chloro-1,1-dioxothiolan-3-yl)cyclooctanecarboxamide
CID 113290261
N-(2-chlorocyclohexyl)-1,1-dioxothiane-2-carboxamide
CID 113422495
N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106443809
N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide
CID 43392962
3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032305
N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114301118
N-cyano-1,1-dioxothiolane-3-carboxamide
CID 79195189
(3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide
CID 9092671
N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 106444042
N-(2-chlorocyclopentyl)adamantane-2-carboxamide
CID 106443807

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide (CID 106443963) is N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide is O=C(NC1CCCC1Cl)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is TVGTZFKZGRHQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3S/c11-8-2-1-3-9(8)12-10(13)7-4-5-16(14,15)6-7/h7-9H,1-6H2,(H,12,13).
What are the key properties of N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide?
N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 265.76 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 106443963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).