[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride

C13H21ClN2O4S2 — CID 119969590

IUPAC[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2CN)c1.Cl
InChIInChI=1S/C13H20N2O4S2.ClH/c1-20(16,17)12-6-4-7-13(9-12)21(18,19)15-8-3-2-5-11(15)10-14;/h4,6-7,9,11H,2-3,5,8,10,14H2,1H3;1H
InChIKeyYIHONUOSMBWVIQ-UHFFFAOYSA-N
MW368.91 g/mol
LogP1.01
Rot. Bonds4

About [1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride

[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 119969590) has the molecular formula C13H21ClN2O4S2 and a molecular weight of 368.91 g/mol. Its IUPAC name is [1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID119969590
Molecular FormulaC13H21ClN2O4S2
Molecular Weight368.91 g/mol
Exact Mass368.06
IUPAC Name[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2CN)c1.Cl
InChIInChI=1S/C13H20N2O4S2.ClH/c1-20(16,17)12-6-4-7-13(9-12)21(18,19)15-8-3-2-5-11(15)10-14;/h4,6-7,9,11H,2-3,5,8,10,14H2,1H3;1H
InChIKeyYIHONUOSMBWVIQ-UHFFFAOYSA-N
XLogP1.01
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988934
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 119988615
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988893
[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 97325791
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119969443
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284408
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
CID 119969518
ethyl 1-(3-methylsulfonylphenyl)sulfonylpiperidine-2-carboxylate
CID 55559347
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride (CID 119969590) is [1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride is CS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2CN)c1.Cl.
What is the InChIKey of [1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is YIHONUOSMBWVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2.ClH/c1-20(16,17)12-6-4-7-13(9-12)21(18,19)15-8-3-2-5-11(15)10-14;/h4,6-7,9,11H,2-3,5,8,10,14H2,1H3;1H.
What are the key properties of [1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119969590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).