1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine

C16H26N2O2S — CID 60872652

IUPAC1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
SMILESCCC(N)c1cccc(S(=O)(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C16H26N2O2S/c1-4-16(17)14-6-5-7-15(9-14)21(19,20)18-10-12(2)8-13(3)11-18/h5-7,9,12-13,16H,4,8,10-11,17H2,1-3H3
InChIKeyXCUNNBXHFPQGSL-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.76
Rot. Bonds4

About 1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine

1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine (PubChem CID 60872652) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
PubChem CID60872652
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
SMILESCCC(N)c1cccc(S(=O)(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C16H26N2O2S/c1-4-16(17)14-6-5-7-15(9-14)21(19,20)18-10-12(2)8-13(3)11-18/h5-7,9,12-13,16H,4,8,10-11,17H2,1-3H3
InChIKeyXCUNNBXHFPQGSL-UHFFFAOYSA-N
XLogP2.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine
CID 104959241
1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
CID 60871674
1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
CID 60873787
1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine
CID 60873972
1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol
CID 62944000
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873415
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
(3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine
CID 95739230
(3R,5R)-3,5-dimethyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 95756868
N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873418
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 40896968

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine?
The IUPAC name of 1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine (CID 60872652) is 1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine.
What is the SMILES notation for 1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine?
The canonical SMILES for 1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine is CCC(N)c1cccc(S(=O)(=O)N2CC(C)CC(C)C2)c1.
What is the InChIKey of 1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine?
The InChIKey is XCUNNBXHFPQGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-16(17)14-6-5-7-15(9-14)21(19,20)18-10-12(2)8-13(3)11-18/h5-7,9,12-13,16H,4,8,10-11,17H2,1-3H3.
What are the key properties of 1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine?
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine has a molecular weight of 310.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine is sourced from PubChem (CID 60872652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).