3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride

C10H21ClN2OS — CID 119796250

IUPAC3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCSCC(C)NC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-8(6-14-3)12-9(13)10(2)4-5-11-7-10;/h8,11H,4-7H2,1-3H3,(H,12,13);1H
InChIKeyHOHRWJFPTSVDLP-UHFFFAOYSA-N
MW252.81 g/mol
LogP1.28
Rot. Bonds4

About 3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride

3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119796250) has the molecular formula C10H21ClN2OS and a molecular weight of 252.81 g/mol. Its IUPAC name is 3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119796250
Molecular FormulaC10H21ClN2OS
Molecular Weight252.81 g/mol
Exact Mass252.11
IUPAC Name3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCSCC(C)NC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-8(6-14-3)12-9(13)10(2)4-5-11-7-10;/h8,11H,4-7H2,1-3H3,(H,12,13);1H
InChIKeyHOHRWJFPTSVDLP-UHFFFAOYSA-N
XLogP1.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
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3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
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N-(1-ethoxypropan-2-yl)-3-methylpyrrolidine-3-carboxamide
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(2S)-2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63141298
N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 104828260
3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 55165528
methyl (2R)-2-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
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3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride
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3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119945471
N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide
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N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide
CID 81388379

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 119796250) is 3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride is CSCC(C)NC(=O)C1(C)CCNC1.Cl.
What is the InChIKey of 3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is HOHRWJFPTSVDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS.ClH/c1-8(6-14-3)12-9(13)10(2)4-5-11-7-10;/h8,11H,4-7H2,1-3H3,(H,12,13);1H.
What are the key properties of 3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride?
3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 252.81 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119796250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).