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

C9H19ClN2OS — CID 119330672

IUPAC(2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCSCC(C)NC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-7(6-13-2)11-9(12)8-4-3-5-10-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H/t7?,8-;/m0./s1
InChIKeyAGMGZWKMPAXAAF-MTICXXPYSA-N
MW238.78 g/mol
LogP1.03
Rot. Bonds4

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

(2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119330672) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is (2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119330672
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC Name(2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCSCC(C)NC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-7(6-13-2)11-9(12)8-4-3-5-10-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H/t7?,8-;/m0./s1
InChIKeyAGMGZWKMPAXAAF-MTICXXPYSA-N
XLogP1.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103812007
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
N-(4-methylsulfanylbutan-2-yl)azocane-2-carboxamide
CID 114240218
(2R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-2-carboxamide
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N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608
methyl 3-[[(2R)-piperidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119695157
(2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119789194
N-(5,5-dimethylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119330827
methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119274282

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 119330672) is (2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride is CSCC(C)NC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is AGMGZWKMPAXAAF-MTICXXPYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c1-7(6-13-2)11-9(12)8-4-3-5-10-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H/t7?,8-;/m0./s1.
What are the key properties of (2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119330672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).