N-(2-oxopropyl)thiolane-3-carboxamide

C8H13NO2S — CID 64997229

IUPACN-(2-oxopropyl)thiolane-3-carboxamide
SMILESCC(=O)CNC(=O)C1CCSC1
InChIInChI=1S/C8H13NO2S/c1-6(10)4-9-8(11)7-2-3-12-5-7/h7H,2-5H2,1H3,(H,9,11)
InChIKeyXUJLKKWRJPDXCR-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.44
Rot. Bonds3

About N-(2-oxopropyl)thiolane-3-carboxamide

N-(2-oxopropyl)thiolane-3-carboxamide (PubChem CID 64997229) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is N-(2-oxopropyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxopropyl)thiolane-3-carboxamide
PubChem CID64997229
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC NameN-(2-oxopropyl)thiolane-3-carboxamide
SMILESCC(=O)CNC(=O)C1CCSC1
InChIInChI=1S/C8H13NO2S/c1-6(10)4-9-8(11)7-2-3-12-5-7/h7H,2-5H2,1H3,(H,9,11)
InChIKeyXUJLKKWRJPDXCR-UHFFFAOYSA-N
XLogP0.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)thiolane-3-carboxamide
CID 64592330
N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
CID 115305764
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide
CID 66170496
N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide
CID 64542327
N-[(4-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
CID 106123732
4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 122579173
N-(4-bromo-2,2-dimethylbutyl)thiolane-3-carboxamide
CID 106143446
N-cyclopropylthiolane-3-carboxamide
CID 64591320
N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
CID 64911749
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
CID 115362677
N-[(2-methylphenyl)methyl]thiolane-3-carboxamide
CID 110850669

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropyl)thiolane-3-carboxamide?
The IUPAC name of N-(2-oxopropyl)thiolane-3-carboxamide (CID 64997229) is N-(2-oxopropyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(2-oxopropyl)thiolane-3-carboxamide?
The canonical SMILES for N-(2-oxopropyl)thiolane-3-carboxamide is CC(=O)CNC(=O)C1CCSC1.
What is the InChIKey of N-(2-oxopropyl)thiolane-3-carboxamide?
The InChIKey is XUJLKKWRJPDXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-6(10)4-9-8(11)7-2-3-12-5-7/h7H,2-5H2,1H3,(H,9,11).
What are the key properties of N-(2-oxopropyl)thiolane-3-carboxamide?
N-(2-oxopropyl)thiolane-3-carboxamide has a molecular weight of 187.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropyl)thiolane-3-carboxamide is sourced from PubChem (CID 64997229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).