N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C13H19ClN2OS — CID 119302796

IUPACN-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCSc1ccc(CNC(=O)C2CCCN2)cc1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-17-11-6-4-10(5-7-11)9-15-13(16)12-3-2-8-14-12;/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16);1H
InChIKeyCUIXYYFOWMIOLP-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.20
Rot. Bonds4

About N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119302796) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119302796
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCSc1ccc(CNC(=O)C2CCCN2)cc1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-17-11-6-4-10(5-7-11)9-15-13(16)12-3-2-8-14-12;/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16);1H
InChIKeyCUIXYYFOWMIOLP-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794499
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119302796) is N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is CSc1ccc(CNC(=O)C2CCCN2)cc1.Cl.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is CUIXYYFOWMIOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS.ClH/c1-17-11-6-4-10(5-7-11)9-15-13(16)12-3-2-8-14-12;/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16);1H.
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 286.83 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119302796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).