1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine

C10H22N2O2S — CID 81332995

IUPAC1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine
SMILESCC1CC(NCCS(C)(=O)=O)CCN1C
InChIInChI=1S/C10H22N2O2S/c1-9-8-10(4-6-12(9)2)11-5-7-15(3,13)14/h9-11H,4-8H2,1-3H3
InChIKeyOCXHKOPHSZZGMZ-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.10
Rot. Bonds4

About 1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine

1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine (PubChem CID 81332995) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine
PubChem CID81332995
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine
SMILESCC1CC(NCCS(C)(=O)=O)CCN1C
InChIInChI=1S/C10H22N2O2S/c1-9-8-10(4-6-12(9)2)11-5-7-15(3,13)14/h9-11H,4-8H2,1-3H3
InChIKeyOCXHKOPHSZZGMZ-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine (CID 81332995) is 1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine is CC1CC(NCCS(C)(=O)=O)CCN1C.
What is the InChIKey of 1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine?
The InChIKey is OCXHKOPHSZZGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9-8-10(4-6-12(9)2)11-5-7-15(3,13)14/h9-11H,4-8H2,1-3H3.
What are the key properties of 1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine?
1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine has a molecular weight of 234.36 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine is sourced from PubChem (CID 81332995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).