3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride

C13H29ClN2O2S — CID 120779209

IUPAC3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride
SMILESCCCC(C)CS(=O)(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C13H28N2O2S.ClH/c1-5-6-11(2)9-18(16,17)15-8-7-12(14)13(3,4)10-15;/h11-12H,5-10,14H2,1-4H3;1H
InChIKeyQLWPEHNCJJGWJC-UHFFFAOYSA-N
MW312.91 g/mol
LogP2.23
Rot. Bonds5

About 3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride

3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride (PubChem CID 120779209) has the molecular formula C13H29ClN2O2S and a molecular weight of 312.91 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride
PubChem CID120779209
Molecular FormulaC13H29ClN2O2S
Molecular Weight312.91 g/mol
Exact Mass312.16
IUPAC Name3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride
SMILESCCCC(C)CS(=O)(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C13H28N2O2S.ClH/c1-5-6-11(2)9-18(16,17)15-8-7-12(14)13(3,4)10-15;/h11-12H,5-10,14H2,1-4H3;1H
InChIKeyQLWPEHNCJJGWJC-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.91
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
CID 120779816
[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120777439
4-amino-N,3,3-trimethyl-N-propylpiperidine-1-sulfonamide;hydrochloride
CID 120779800
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791
1-(2-methylbutylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959284
(3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine
CID 119962777
1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine
CID 115276642
3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine
CID 120779320
3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine
CID 120779200
3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 120779629
1-(azepan-1-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120779565
3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine
CID 120779463

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride (CID 120779209) is 3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride is CCCC(C)CS(=O)(=O)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride?
The InChIKey is QLWPEHNCJJGWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S.ClH/c1-5-6-11(2)9-18(16,17)15-8-7-12(14)13(3,4)10-15;/h11-12H,5-10,14H2,1-4H3;1H.
What are the key properties of 3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride has a molecular weight of 312.91 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120779209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).