1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide

C11H20N2O2S — CID 163963935

IUPAC1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C)(C)CS
InChIInChI=1S/C11H20N2O2S/c1-11(2,7-16)10(15)13-6-4-5-8(13)9(14)12-3/h8,16H,4-7H2,1-3H3,(H,12,14)
InChIKeySJZCBCPUXDUVOS-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.68
Rot. Bonds3

About 1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide

1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 163963935) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID163963935
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C)(C)CS
InChIInChI=1S/C11H20N2O2S/c1-11(2,7-16)10(15)13-6-4-5-8(13)9(14)12-3/h8,16H,4-7H2,1-3H3,(H,12,14)
InChIKeySJZCBCPUXDUVOS-UHFFFAOYSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 79805766
1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide
CID 79805407
(2S)-1-(2,2-dimethylpropyl)-N-methylpyrrolidine-2-carboxamide
CID 140912286
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119736624
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
CID 78986673
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide (CID 163963935) is 1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C(C)(C)CS.
What is the InChIKey of 1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is SJZCBCPUXDUVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-11(2,7-16)10(15)13-6-4-5-8(13)9(14)12-3/h8,16H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide?
1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163963935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).