3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride

C10H23ClN2O2S — CID 120779816

IUPAC3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
SMILESCCCS(=O)(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-4-7-15(13,14)12-6-5-9(11)10(2,3)8-12;/h9H,4-8,11H2,1-3H3;1H
InChIKeyXTSLOBRIGSDGAF-UHFFFAOYSA-N
MW270.83 g/mol
LogP1.21
Rot. Bonds3

About 3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride

3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride (PubChem CID 120779816) has the molecular formula C10H23ClN2O2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
PubChem CID120779816
Molecular FormulaC10H23ClN2O2S
Molecular Weight270.83 g/mol
Exact Mass270.12
IUPAC Name3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
SMILESCCCS(=O)(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-4-7-15(13,14)12-6-5-9(11)10(2,3)8-12;/h9H,4-8,11H2,1-3H3;1H
InChIKeyXTSLOBRIGSDGAF-UHFFFAOYSA-N
XLogP1.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-propylsulfonylpiperidin-4-ol
CID 115269681
3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride
CID 120779209
4-amino-N,3,3-trimethyl-N-propylpiperidine-1-sulfonamide;hydrochloride
CID 120779800
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791
1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine
CID 115276642
3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine
CID 120779200
1-(azepan-1-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120779565
3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine
CID 120779763
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
1-[(3-chloro-4-fluorophenyl)methylsulfonyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120876989
3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine
CID 120779463
1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride (CID 120779816) is 3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride is CCCS(=O)(=O)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is XTSLOBRIGSDGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S.ClH/c1-4-7-15(13,14)12-6-5-9(11)10(2,3)8-12;/h9H,4-8,11H2,1-3H3;1H.
What are the key properties of 3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride?
3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 270.83 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120779816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).