1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide

C19H29N3O3S — CID 119510988

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCN3)CC2)cc1C
InChIInChI=1S/C19H29N3O3S/c1-14-5-6-18(12-15(14)2)26(24,25)22-10-7-16(8-11-22)19(23)21-13-17-4-3-9-20-17/h5-6,12,16-17,20H,3-4,7-11,13H2,1-2H3,(H,21,23)
InChIKeyFSIYLQDHUJKEQQ-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.57
Rot. Bonds5

About 1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 119510988) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID119510988
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCN3)CC2)cc1C
InChIInChI=1S/C19H29N3O3S/c1-14-5-6-18(12-15(14)2)26(24,25)22-10-7-16(8-11-22)19(23)21-13-17-4-3-9-20-17/h5-6,12,16-17,20H,3-4,7-11,13H2,1-2H3,(H,21,23)
InChIKeyFSIYLQDHUJKEQQ-UHFFFAOYSA-N
XLogP1.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430619
N-(3-aminopropyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119405837
N-(3-aminobutyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119495981
1-(3,4-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 26776108
1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294416
1-(3,4-dimethylphenyl)sulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 24542864
N-[2-(1-adamantyl)ethyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26878686
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55717991
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide
CID 32905464
N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119569489

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide (CID 119510988) is 1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCN3)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FSIYLQDHUJKEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-14-5-6-18(12-15(14)2)26(24,25)22-10-7-16(8-11-22)19(23)21-13-17-4-3-9-20-17/h5-6,12,16-17,20H,3-4,7-11,13H2,1-2H3,(H,21,23).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 119510988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).