1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride

C13H28ClN3O2S — CID 119984041

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CC(C)CN(S(=O)(=O)N2CCC(N)C(C)C2)C1.Cl
InChIInChI=1S/C13H27N3O2S.ClH/c1-10-6-11(2)8-16(7-10)19(17,18)15-5-4-13(14)12(3)9-15;/h10-13H,4-9,14H2,1-3H3;1H
InChIKeyPMAZRASGTFRNRT-UHFFFAOYSA-N
MW325.91 g/mol
LogP1.30
Rot. Bonds2

About 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride (PubChem CID 119984041) has the molecular formula C13H28ClN3O2S and a molecular weight of 325.91 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
PubChem CID119984041
Molecular FormulaC13H28ClN3O2S
Molecular Weight325.91 g/mol
Exact Mass325.16
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CC(C)CN(S(=O)(=O)N2CCC(N)C(C)C2)C1.Cl
InChIInChI=1S/C13H27N3O2S.ClH/c1-10-6-11(2)8-16(7-10)19(17,18)15-5-4-13(14)12(3)9-15;/h10-13H,4-9,14H2,1-3H3;1H
InChIKeyPMAZRASGTFRNRT-UHFFFAOYSA-N
XLogP1.30
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.91
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120585482
3-methyl-1-methylsulfonylpiperidin-4-amine
CID 67385582
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine
CID 55621429
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874
(3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 122103899
1-(4-methylpiperidin-1-yl)sulfonylazetidin-3-amine
CID 63765450
4-amino-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114813739
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
CID 28775925
1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine
CID 97260419
(3S)-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 94340323
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride (CID 119984041) is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride is CC1CC(C)CN(S(=O)(=O)N2CCC(N)C(C)C2)C1.Cl.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The InChIKey is PMAZRASGTFRNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S.ClH/c1-10-6-11(2)8-16(7-10)19(17,18)15-5-4-13(14)12(3)9-15;/h10-13H,4-9,14H2,1-3H3;1H.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride has a molecular weight of 325.91 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119984041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).