2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine

C11H24N2O2S — CID 116853188

IUPAC2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine
SMILESCN1CCCC(S(=O)(=O)CC(C)(C)CN)C1
InChIInChI=1S/C11H24N2O2S/c1-11(2,8-12)9-16(14,15)10-5-4-6-13(3)7-10/h10H,4-9,12H2,1-3H3
InChIKeyWZOMXHGHKPGHLM-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.48
Rot. Bonds4

About 2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine

2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine (PubChem CID 116853188) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine
PubChem CID116853188
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine
SMILESCN1CCCC(S(=O)(=O)CC(C)(C)CN)C1
InChIInChI=1S/C11H24N2O2S/c1-11(2,8-12)9-16(14,15)10-5-4-6-13(3)7-10/h10H,4-9,12H2,1-3H3
InChIKeyWZOMXHGHKPGHLM-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpiperidin-3-yl)sulfonylpropanenitrile
CID 116855372
2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
CID 115200230
4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115157360
N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide
CID 115270989
2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine
CID 116870438
2,2-dimethylpropylsulfonylcyclobutane
CID 167544021
N-(3-amino-2,2-dimethylpropyl)cyclobutanesulfonamide
CID 115270992
2,2-dimethyl-N-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115204269
2-cyclobutylsulfonyl-2-methylpropan-1-amine
CID 116855236
1-cyclopentylsulfonyl-2-methylpropan-2-ol
CID 111435418
N-(2,2-dimethylpropyl)-1-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 23588525
3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one
CID 116915795

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine (CID 116853188) is 2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine is CN1CCCC(S(=O)(=O)CC(C)(C)CN)C1.
What is the InChIKey of 2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine?
The InChIKey is WZOMXHGHKPGHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,8-12)9-16(14,15)10-5-4-6-13(3)7-10/h10H,4-9,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine?
2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine has a molecular weight of 248.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-methylpiperidin-3-yl)sulfonylpropan-1-amine is sourced from PubChem (CID 116853188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).