1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine

C10H22N2O2S — CID 79559432

IUPAC1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine
SMILESCC(C)(CN1CCC(N)CC1)S(C)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-10(2,15(3,13)14)8-12-6-4-9(11)5-7-12/h9H,4-8,11H2,1-3H3
InChIKeyXTKCQTZSQXFQCF-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.23
Rot. Bonds3

About 1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine

1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine (PubChem CID 79559432) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine
PubChem CID79559432
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine
SMILESCC(C)(CN1CCC(N)CC1)S(C)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-10(2,15(3,13)14)8-12-6-4-9(11)5-7-12/h9H,4-8,11H2,1-3H3
InChIKeyXTKCQTZSQXFQCF-UHFFFAOYSA-N
XLogP0.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 79550721
3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
CID 79550120
3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
CID 79550753
3-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)-1,4-diazepane
CID 79550399
3-ethyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
CID 79550304
1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride
CID 75994015
2-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine
CID 75439028
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 63004401
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine
CID 79559306
N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide
CID 119908725
1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride
CID 119907593

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine?
The IUPAC name of 1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine (CID 79559432) is 1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine?
The canonical SMILES for 1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine is CC(C)(CN1CCC(N)CC1)S(C)(=O)=O.
What is the InChIKey of 1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine?
The InChIKey is XTKCQTZSQXFQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,15(3,13)14)8-12-6-4-9(11)5-7-12/h9H,4-8,11H2,1-3H3.
What are the key properties of 1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine?
1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine has a molecular weight of 234.36 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine is sourced from PubChem (CID 79559432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).