N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide

C13H21NO3S — CID 49343158

IUPACN-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCN(C(=O)C1CCS(=O)(=O)C1)C(C1CC1)C1CC1
InChIInChI=1S/C13H21NO3S/c1-14(12(9-2-3-9)10-4-5-10)13(15)11-6-7-18(16,17)8-11/h9-12H,2-8H2,1H3
InChIKeyLUNRCFRLKJWBOO-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.07
Rot. Bonds4

About N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide

N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide (PubChem CID 49343158) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
PubChem CID49343158
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCN(C(=O)C1CCS(=O)(=O)C1)C(C1CC1)C1CC1
InChIInChI=1S/C13H21NO3S/c1-14(12(9-2-3-9)10-4-5-10)13(15)11-6-7-18(16,17)8-11/h9-12H,2-8H2,1H3
InChIKeyLUNRCFRLKJWBOO-UHFFFAOYSA-N
XLogP1.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 47160080
(3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide
CID 9092671
1-[(1,1-dioxothiolane-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120540077
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 79652406
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 64905780
methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952441
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 114760219
N-(2-chloroethyl)-1,1-dioxo-N-propylthiolane-3-carboxamide
CID 64906671
(3S)-N-[(1R)-1-cyclopropyl-2-(4-methylphenyl)ethyl]-N-ethyl-1,1-dioxothiolane-3-carboxamide
CID 95777503
N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide
CID 64913364
N-(4-carbamothioylphenyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 64905373
N-[(2-fluorophenyl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 134012637

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide (CID 49343158) is N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide is CN(C(=O)C1CCS(=O)(=O)C1)C(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
The InChIKey is LUNRCFRLKJWBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-14(12(9-2-3-9)10-4-5-10)13(15)11-6-7-18(16,17)8-11/h9-12H,2-8H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide has a molecular weight of 271.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 49343158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).