3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine

C10H22N2O2S — CID 62936725

IUPAC3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine
SMILESCC1(C)CCN(S(=O)(=O)CCCN)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2)4-7-12(8-5-10)15(13,14)9-3-6-11/h3-9,11H2,1-2H3
InChIKeyFLODOGAAWSDFGF-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.79
Rot. Bonds4

About 3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine

3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine (PubChem CID 62936725) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine
PubChem CID62936725
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine
SMILESCC1(C)CCN(S(=O)(=O)CCCN)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2)4-7-12(8-5-10)15(13,14)9-3-6-11/h3-9,11H2,1-2H3
InChIKeyFLODOGAAWSDFGF-UHFFFAOYSA-N
XLogP0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine?
The IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine (CID 62936725) is 3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine?
The canonical SMILES for 3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine is CC1(C)CCN(S(=O)(=O)CCCN)CC1.
What is the InChIKey of 3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine?
The InChIKey is FLODOGAAWSDFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2)4-7-12(8-5-10)15(13,14)9-3-6-11/h3-9,11H2,1-2H3.
What are the key properties of 3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine?
3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine has a molecular weight of 234.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine is sourced from PubChem (CID 62936725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).