(2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide

C11H19N3OS — CID 92534826

IUPAC(2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1C(=S)NC1CC1
InChIInChI=1S/C11H19N3OS/c1-13(2)10(15)9-4-3-7-14(9)11(16)12-8-5-6-8/h8-9H,3-7H2,1-2H3,(H,12,16)/t9-/m0/s1
InChIKeyLRYHYILLYURVSR-VIFPVBQESA-N
MW241.36 g/mol
LogP0.58
Rot. Bonds2

About (2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide

(2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 92534826) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID92534826
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1C(=S)NC1CC1
InChIInChI=1S/C11H19N3OS/c1-13(2)10(15)9-4-3-7-14(9)11(16)12-8-5-6-8/h8-9H,3-7H2,1-2H3,(H,12,16)/t9-/m0/s1
InChIKeyLRYHYILLYURVSR-VIFPVBQESA-N
XLogP0.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
(2S)-1-(cyclohexylcarbamothioyl)pyrrolidine-2-carboxylic acid
CID 57088670
N,N-dimethyl-1-(1-phenylethylcarbamothioyl)pyrrolidine-2-carboxamide
CID 71893825
1-(cyclopropanecarbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717815
1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063
(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 101411336
4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991376
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 60700666
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
N-cyclopropyl-2-methylpiperidine-1-carbothioamide
CID 19653964
N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
CID 78958215
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 92534826) is (2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@@H]1CCCN1C(=S)NC1CC1.
What is the InChIKey of (2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is LRYHYILLYURVSR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3OS/c1-13(2)10(15)9-4-3-7-14(9)11(16)12-8-5-6-8/h8-9H,3-7H2,1-2H3,(H,12,16)/t9-/m0/s1.
What are the key properties of (2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide?
(2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 92534826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).