(2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide

C10H19N3OS — CID 94171194

IUPAC(2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide
SMILESCCCCNC(=S)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C10H19N3OS/c1-2-3-6-12-10(15)13-7-4-5-8(13)9(11)14/h8H,2-7H2,1H3,(H2,11,14)(H,12,15)/t8-/m1/s1
InChIKeyGAAZQKSXCBRSIY-MRVPVSSYSA-N
MW229.35 g/mol
LogP0.61
Rot. Bonds4

About (2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide

(2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide (PubChem CID 94171194) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is (2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide
PubChem CID94171194
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name(2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide
SMILESCCCCNC(=S)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C10H19N3OS/c1-2-3-6-12-10(15)13-7-4-5-8(13)9(11)14/h8H,2-7H2,1H3,(H2,11,14)(H,12,15)/t8-/m1/s1
InChIKeyGAAZQKSXCBRSIY-MRVPVSSYSA-N
XLogP0.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493
N-butyl-2-methylpiperidine-1-carbothioamide
CID 19653959
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
N-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carbothioamide
CID 63402446
N-butyl-2-propylpiperidine-1-carbothioamide
CID 104587654
(2S)-1-[2-(carbamothioylamino)acetyl]pyrrolidine-2-carboxamide;ethane
CID 143879715
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide
CID 11658913
(2R)-1-[(4-ethylphenyl)carbamothioyl]pyrrolidine-2-carboxamide
CID 8680102
1-(2-aminobutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 22451228
(2S)-1-(butylcarbamothioyl)-N-[(4R)-2,6-dimethyl-3-oxohept-1-en-4-yl]-N-methylpyrrolidine-2-carboxamide;ethane;molecular hydrogen
CID 156846172
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide (CID 94171194) is (2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide is CCCCNC(=S)N1CCC[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide?
The InChIKey is GAAZQKSXCBRSIY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-2-3-6-12-10(15)13-7-4-5-8(13)9(11)14/h8H,2-7H2,1H3,(H2,11,14)(H,12,15)/t8-/m1/s1.
What are the key properties of (2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide?
(2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide has a molecular weight of 229.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94171194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).