(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide

C10H18N2O3S — CID 22691367

IUPAC(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S/c1-12(8-4-6-16(14,15)7-8)10(13)9-3-2-5-11-9/h8-9,11H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyBXOUOKBJSNOKBU-GKAPJAKFSA-N
MW246.33 g/mol
LogP-0.62
Rot. Bonds2

About (2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide

(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 22691367) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is (2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID22691367
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S/c1-12(8-4-6-16(14,15)7-8)10(13)9-3-2-5-11-9/h8-9,11H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyBXOUOKBJSNOKBU-GKAPJAKFSA-N
XLogP-0.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-2-carboxamide
CID 103807849
(2S)-N-cyclohexyl-N-methylpyrrolidine-2-carboxamide
CID 23520170
N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61214617
(2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
CID 104913271
(2R)-N-methyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 93224848
N-cyclobutyl-N-methylazetidine-2-carboxamide
CID 130908967
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
(2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 61447107
N-methyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 62546250
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)azepane-2-carboxamide
CID 64562839
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide
CID 43648898
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide (CID 22691367) is (2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide is CN(C(=O)[C@@H]1CCCN1)C1CCS(=O)(=O)C1.
What is the InChIKey of (2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is BXOUOKBJSNOKBU-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-12(8-4-6-16(14,15)7-8)10(13)9-3-2-5-11-9/h8-9,11H,2-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of (2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide?
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 246.33 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 22691367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).