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

C13H28ClN3O2S — CID 119984879

IUPAC[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(S(=O)(=O)N2CCCCC2C)C1CN.Cl
InChIInChI=1S/C13H27N3O2S.ClH/c1-11-6-5-9-16(13(11)10-14)19(17,18)15-8-4-3-7-12(15)2;/h11-13H,3-10,14H2,1-2H3;1H
InChIKeyVYKKXHKCHWTNNG-UHFFFAOYSA-N
MW325.91 g/mol
LogP1.59
Rot. Bonds3

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

[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 119984879) has the molecular formula C13H28ClN3O2S and a molecular weight of 325.91 g/mol. Its IUPAC name is [3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID119984879
Molecular FormulaC13H28ClN3O2S
Molecular Weight325.91 g/mol
Exact Mass325.16
IUPAC Name[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(S(=O)(=O)N2CCCCC2C)C1CN.Cl
InChIInChI=1S/C13H27N3O2S.ClH/c1-11-6-5-9-16(13(11)10-14)19(17,18)15-8-4-3-7-12(15)2;/h11-13H,3-10,14H2,1-2H3;1H
InChIKeyVYKKXHKCHWTNNG-UHFFFAOYSA-N
XLogP1.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.91
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine
CID 124835693
[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 125145965
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55241014
2-(aminomethyl)-N,N-diethyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119984924
[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972063
1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965380
2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 114810844
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 107328297
4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
CID 61456479
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine
CID 63400591

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride (CID 119984879) is [3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride is CC1CCCN(S(=O)(=O)N2CCCCC2C)C1CN.Cl.
What is the InChIKey of [3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is VYKKXHKCHWTNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S.ClH/c1-11-6-5-9-16(13(11)10-14)19(17,18)15-8-4-3-7-12(15)2;/h11-13H,3-10,14H2,1-2H3;1H.
What are the key properties of [3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 325.91 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119984879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).