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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Related Compounds

3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine
CID 63159425
4-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]butan-1-amine
CID 107459996
4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70094794
4-(azepan-1-ylsulfonyl)butan-1-amine
CID 28704736
6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
CID 67176093
4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine
CID 103495198
3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine
CID 62368792
4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine
CID 62205256
3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine
CID 103532634
1-(3-aminopropylsulfonyl)-N,N-diethylpyrrolidin-3-amine
CID 63165498
[2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 62937783
1-butylsulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123967

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).