N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride

C17H25ClN2OS — CID 119552349

IUPACN-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1(Sc2ccccc2)CCCC1)C1CCNC1.Cl
InChIInChI=1S/C17H24N2OS.ClH/c1-19(14-9-12-18-13-14)16(20)17(10-5-6-11-17)21-15-7-3-2-4-8-15;/h2-4,7-8,14,18H,5-6,9-13H2,1H3;1H
InChIKeyAJKUVPJJCOKPKO-UHFFFAOYSA-N
MW340.92 g/mol
LogP3.33
Rot. Bonds4

About N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride

N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119552349) has the molecular formula C17H25ClN2OS and a molecular weight of 340.92 g/mol. Its IUPAC name is N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119552349
Molecular FormulaC17H25ClN2OS
Molecular Weight340.92 g/mol
Exact Mass340.14
IUPAC NameN-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1(Sc2ccccc2)CCCC1)C1CCNC1.Cl
InChIInChI=1S/C17H24N2OS.ClH/c1-19(14-9-12-18-13-14)16(20)17(10-5-6-11-17)21-15-7-3-2-4-8-15;/h2-4,7-8,14,18H,5-6,9-13H2,1H3;1H
InChIKeyAJKUVPJJCOKPKO-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
CID 119554243
1-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119553957
1-(benzylcarbamoylamino)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119549992
1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 119550638
1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119551309
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
1-ethylsulfonyl-N-methyl-4-phenyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119554609
2-hydroxy-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 55172570
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride (CID 119552349) is N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride is CN(C(=O)C1(Sc2ccccc2)CCCC1)C1CCNC1.Cl.
What is the InChIKey of N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is AJKUVPJJCOKPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS.ClH/c1-19(14-9-12-18-13-14)16(20)17(10-5-6-11-17)21-15-7-3-2-4-8-15;/h2-4,7-8,14,18H,5-6,9-13H2,1H3;1H.
What are the key properties of N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride?
N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 340.92 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylsulfanyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119552349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).