(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C14H28ClN3O3S — CID 119490378

IUPAC(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCCS(=O)(=O)N1CCCC(C(=O)N2CCCC(NC)C2)C1.Cl
InChIInChI=1S/C14H27N3O3S.ClH/c1-3-21(19,20)17-9-4-6-12(10-17)14(18)16-8-5-7-13(11-16)15-2;/h12-13,15H,3-11H2,1-2H3;1H
InChIKeyGFOIFESMZUAWNH-UHFFFAOYSA-N
MW353.92 g/mol
LogP0.68
Rot. Bonds4

About (1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119490378) has the molecular formula C14H28ClN3O3S and a molecular weight of 353.92 g/mol. Its IUPAC name is (1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119490378
Molecular FormulaC14H28ClN3O3S
Molecular Weight353.92 g/mol
Exact Mass353.15
IUPAC Name(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCCS(=O)(=O)N1CCCC(C(=O)N2CCCC(NC)C2)C1.Cl
InChIInChI=1S/C14H27N3O3S.ClH/c1-3-21(19,20)17-9-4-6-12(10-17)14(18)16-8-5-7-13(11-16)15-2;/h12-13,15H,3-11H2,1-2H3;1H
InChIKeyGFOIFESMZUAWNH-UHFFFAOYSA-N
XLogP0.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489941
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119492016
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119491186
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491783
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide
CID 136578480
N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697

Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119490378) is (1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CCS(=O)(=O)N1CCCC(C(=O)N2CCCC(NC)C2)C1.Cl.
What is the InChIKey of (1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is GFOIFESMZUAWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S.ClH/c1-3-21(19,20)17-9-4-6-12(10-17)14(18)16-8-5-7-13(11-16)15-2;/h12-13,15H,3-11H2,1-2H3;1H.
What are the key properties of (1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 353.92 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119490378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).