[3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone

C18H23N3O3S — CID 119491898

IUPAC[3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)C1
InChIInChI=1S/C18H23N3O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-9-15(12-21)18(22)20-10-3-4-16(13-20)19-2/h5-9,11-12,16,19H,3-4,10,13H2,1-2H3
InChIKeyGCYYHSXYWCPNRV-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.86
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone

[3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone (PubChem CID 119491898) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone
PubChem CID119491898
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name[3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)C1
InChIInChI=1S/C18H23N3O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-9-15(12-21)18(22)20-10-3-4-16(13-20)19-2/h5-9,11-12,16,19H,3-4,10,13H2,1-2H3
InChIKeyGCYYHSXYWCPNRV-UHFFFAOYSA-N
XLogP1.86
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173841
[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone
CID 119651080
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone;hydrochloride
CID 119633506
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
N-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119493599
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 124575570
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone (CID 119491898) is [3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone is CNC1CCCN(C(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone?
The InChIKey is GCYYHSXYWCPNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14-5-7-17(8-6-14)25(23,24)21-11-9-15(12-21)18(22)20-10-3-4-16(13-20)19-2/h5-9,11-12,16,19H,3-4,10,13H2,1-2H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone?
[3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone has a molecular weight of 361.47 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanone is sourced from PubChem (CID 119491898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).