N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide

C12H20ClNO3S — CID 115363944

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCC1(CCl)CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H20ClNO3S/c13-8-12(4-1-2-5-12)9-14-11(15)10-3-6-18(16,17)7-10/h10H,1-9H2,(H,14,15)
InChIKeyUTPJPQKRWYDCBD-UHFFFAOYSA-N
MW293.82 g/mol
LogP1.34
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide

N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 115363944) has the molecular formula C12H20ClNO3S and a molecular weight of 293.82 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID115363944
Molecular FormulaC12H20ClNO3S
Molecular Weight293.82 g/mol
Exact Mass293.09
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCC1(CCl)CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H20ClNO3S/c13-8-12(4-1-2-5-12)9-14-11(15)10-3-6-18(16,17)7-10/h10H,1-9H2,(H,14,15)
InChIKeyUTPJPQKRWYDCBD-UHFFFAOYSA-N
XLogP1.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 51.34
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-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115456020
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 103970156
N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 115668925
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
(3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 94441040
N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 136529458
N-[[1-(chloromethyl)cyclohexyl]methyl]thiolane-3-carboxamide
CID 103969362
N-[(2-chlorocyclohexyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 113272694
N-[[1-(chloromethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103969555
N-(3-bromopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64907068
4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115364050
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide (CID 115363944) is N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide is O=C(NCC1(CCl)CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is UTPJPQKRWYDCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO3S/c13-8-12(4-1-2-5-12)9-14-11(15)10-3-6-18(16,17)7-10/h10H,1-9H2,(H,14,15).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 293.82 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 115363944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).