1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride

C16H25ClN2O2S — CID 120714337

IUPAC1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
SMILESCc1cccc(S(=O)(=O)N2CCC(C3CCCN3)CC2)c1.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-13-4-2-5-15(12-13)21(19,20)18-10-7-14(8-11-18)16-6-3-9-17-16;/h2,4-5,12,14,16-17H,3,6-11H2,1H3;1H
InChIKeyFCFRAKGZPRPSAM-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.57
Rot. Bonds3

About 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride

1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride (PubChem CID 120714337) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
PubChem CID120714337
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
SMILESCc1cccc(S(=O)(=O)N2CCC(C3CCCN3)CC2)c1.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-13-4-2-5-15(12-13)21(19,20)18-10-7-14(8-11-18)16-6-3-9-17-16;/h2,4-5,12,14,16-17H,3,6-11H2,1H3;1H
InChIKeyFCFRAKGZPRPSAM-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714383
1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714288
2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120714185
3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride
CID 120714217
1-(4-methoxy-3-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714407
6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one
CID 120714302
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714348
4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride
CID 120714269
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714118
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The IUPAC name of 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride (CID 120714337) is 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride.
What is the SMILES notation for 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The canonical SMILES for 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride is Cc1cccc(S(=O)(=O)N2CCC(C3CCCN3)CC2)c1.Cl.
What is the InChIKey of 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The InChIKey is FCFRAKGZPRPSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c1-13-4-2-5-15(12-13)21(19,20)18-10-7-14(8-11-18)16-6-3-9-17-16;/h2,4-5,12,14,16-17H,3,6-11H2,1H3;1H.
What are the key properties of 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride is sourced from PubChem (CID 120714337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).