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

C15H23ClN2O3S — CID 119488373

IUPAC[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cccc(CS(C)(=O)=O)c2)C1.Cl
InChIInChI=1S/C15H22N2O3S.ClH/c1-16-14-7-4-8-17(10-14)15(18)13-6-3-5-12(9-13)11-21(2,19)20;/h3,5-6,9,14,16H,4,7-8,10-11H2,1-2H3;1H
InChIKeyQNSQLAMZUFFMQP-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.48
Rot. Bonds4

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

[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride (PubChem CID 119488373) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
PubChem CID119488373
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cccc(CS(C)(=O)=O)c2)C1.Cl
InChIInChI=1S/C15H22N2O3S.ClH/c1-16-14-7-4-8-17(10-14)15(18)13-6-3-5-12(9-13)11-21(2,19)20;/h3,5-6,9,14,16H,4,7-8,10-11H2,1-2H3;1H
InChIKeyQNSQLAMZUFFMQP-UHFFFAOYSA-N
XLogP1.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 119488374
[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575046
[3-(methylsulfonylmethyl)phenyl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627905
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
3-[[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 119490977
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide
CID 119493833
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119487555

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride (CID 119488373) is [3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride is CNC1CCCN(C(=O)c2cccc(CS(C)(=O)=O)c2)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride?
The InChIKey is QNSQLAMZUFFMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S.ClH/c1-16-14-7-4-8-17(10-14)15(18)13-6-3-5-12(9-13)11-21(2,19)20;/h3,5-6,9,14,16H,4,7-8,10-11H2,1-2H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119488373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).