1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine

C12H26N2O2S — CID 115304752

IUPAC1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)CC(C)(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2,3)10-17(15,16)14-8-6-12(4,13-5)7-9-14/h13H,6-10H2,1-5H3
InChIKeyJRVSDOOXGAWVIM-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.44
Rot. Bonds3

About 1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine

1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine (PubChem CID 115304752) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine
PubChem CID115304752
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)CC(C)(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2,3)10-17(15,16)14-8-6-12(4,13-5)7-9-14/h13H,6-10H2,1-5H3
InChIKeyJRVSDOOXGAWVIM-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine
CID 115304775
1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine
CID 115304810
1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine
CID 115304816
1-(difluoromethylsulfonyl)-N,4-dimethylpiperidin-4-amine
CID 115304771
4-methyl-4-(methylamino)-N-propylpiperidine-1-sulfonamide
CID 114811227
ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate
CID 115304847
1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine
CID 126759837
4-bromo-1-(2,2-dimethylpropylsulfonyl)piperidine
CID 80672434
1-(2,2-dimethylpropylsulfonyl)-3,3-dimethylpiperazine
CID 82994653
2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide
CID 114385516
N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine
CID 115304789
1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol
CID 106837151

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine (CID 115304752) is 1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(S(=O)(=O)CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine?
The InChIKey is JRVSDOOXGAWVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2,3)10-17(15,16)14-8-6-12(4,13-5)7-9-14/h13H,6-10H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine?
1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine has a molecular weight of 262.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115304752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).