[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C18H27N3O3S — CID 119540587

IUPAC[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C18H27N3O3S/c1-19-12-15-9-11-20(13-15)18(22)16-6-5-10-21(14-16)25(23,24)17-7-3-2-4-8-17/h2-4,7-8,15-16,19H,5-6,9-14H2,1H3
InChIKeyFFGOTNMTGNLPKO-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.16
Rot. Bonds5

About [1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119540587) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119540587
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C18H27N3O3S/c1-19-12-15-9-11-20(13-15)18(22)16-6-5-10-21(14-16)25(23,24)17-7-3-2-4-8-17/h2-4,7-8,15-16,19H,5-6,9-14H2,1H3
InChIKeyFFGOTNMTGNLPKO-UHFFFAOYSA-N
XLogP1.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397032
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 5033864
[1-(benzenesulfonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398721
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone;hydrochloride
CID 119485135
[4-(methylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119546707
(4-benzylpiperidin-1-yl)-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 126394359
(3R)-1-[(3R)-1-(benzenesulfonyl)piperidine-3-carbonyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 52531572
[1-(benzenesulfonyl)piperidin-3-yl]-(4-prop-2-ynoxypiperidin-1-yl)methanone
CID 136524854
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119540587) is [1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)C1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is FFGOTNMTGNLPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-19-12-15-9-11-20(13-15)18(22)16-6-5-10-21(14-16)25(23,24)17-7-3-2-4-8-17/h2-4,7-8,15-16,19H,5-6,9-14H2,1H3.
What are the key properties of [1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 365.50 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119540587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).