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

C10H16ClNO3S — CID 115456020

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCC1(CCl)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H16ClNO3S/c11-6-10(2-3-10)7-12-9(13)8-1-4-16(14,15)5-8/h8H,1-7H2,(H,12,13)
InChIKeyLIIKHJSZSPOLQL-UHFFFAOYSA-N
MW265.76 g/mol
LogP0.56
Rot. Bonds4

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

N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 115456020) has the molecular formula C10H16ClNO3S and a molecular weight of 265.76 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID115456020
Molecular FormulaC10H16ClNO3S
Molecular Weight265.76 g/mol
Exact Mass265.05
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCC1(CCl)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H16ClNO3S/c11-6-10(2-3-10)7-12-9(13)8-1-4-16(14,15)5-8/h8H,1-7H2,(H,12,13)
InChIKeyLIIKHJSZSPOLQL-UHFFFAOYSA-N
XLogP0.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 50.56
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)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115363944
N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 115668925
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 103970156
N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 136529458
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
(3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 94441040
N-(3-bromopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64907068
N-[(2-chlorocyclohexyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 113272694
N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 43418379
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003299
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 102915000
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184243

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide (CID 115456020) is N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide is O=C(NCC1(CCl)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is LIIKHJSZSPOLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3S/c11-6-10(2-3-10)7-12-9(13)8-1-4-16(14,15)5-8/h8H,1-7H2,(H,12,13).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 265.76 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 115456020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).