[3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone

C19H29N3O3S — CID 119592933

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone
SMILESCC(N)C1CCCN(C(=O)C2CCCCN2S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H29N3O3S/c1-15(20)16-8-7-12-21(14-16)19(23)18-11-5-6-13-22(18)26(24,25)17-9-3-2-4-10-17/h2-4,9-10,15-16,18H,5-8,11-14,20H2,1H3
InChIKeyBALMTFSXQDMSDC-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.82
Rot. Bonds4

About [3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone

[3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone (PubChem CID 119592933) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone
PubChem CID119592933
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone
SMILESCC(N)C1CCCN(C(=O)C2CCCCN2S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H29N3O3S/c1-15(20)16-8-7-12-21(14-16)19(23)18-11-5-6-13-22(18)26(24,25)17-9-3-2-4-10-17/h2-4,9-10,15-16,18H,5-8,11-14,20H2,1H3
InChIKeyBALMTFSXQDMSDC-UHFFFAOYSA-N
XLogP1.82
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-1-methylsulfonylpiperidin-2-yl]methanone
CID 125146980
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
CID 119373052
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119487072
[1-(benzenesulfonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398721
[3-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119593326
[3-(1-aminoethyl)piperidin-1-yl]-[5-(benzenesulfonyl)thiophen-2-yl]methanone;hydrochloride
CID 119593130
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 1190427
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 119594689

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone (CID 119592933) is [3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone is CC(N)C1CCCN(C(=O)C2CCCCN2S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone?
The InChIKey is BALMTFSXQDMSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15(20)16-8-7-12-21(14-16)19(23)18-11-5-6-13-22(18)26(24,25)17-9-3-2-4-10-17/h2-4,9-10,15-16,18H,5-8,11-14,20H2,1H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone?
[3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone has a molecular weight of 379.53 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone is sourced from PubChem (CID 119592933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).