1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine

C15H24N2O2S — CID 60873787

IUPAC1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-2-15(16)13-8-7-9-14(12-13)20(18,19)17-10-5-3-4-6-11-17/h7-9,12,15H,2-6,10-11,16H2,1H3
InChIKeyAYRHPOVMOHGEDG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.66
Rot. Bonds4

About 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine

1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine (PubChem CID 60873787) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
PubChem CID60873787
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-2-15(16)13-8-7-9-14(12-13)20(18,19)17-10-5-3-4-6-11-17/h7-9,12,15H,2-6,10-11,16H2,1H3
InChIKeyAYRHPOVMOHGEDG-UHFFFAOYSA-N
XLogP2.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
CID 60871674
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60872652
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873415
1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol
CID 62944000
1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine
CID 104959241
1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine
CID 60873972
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43585548
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
3-(azepan-1-ylsulfonyl)aniline
CID 5004919
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217564

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine?
The IUPAC name of 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine (CID 60873787) is 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine?
The canonical SMILES for 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine is CCC(N)c1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine?
The InChIKey is AYRHPOVMOHGEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-15(16)13-8-7-9-14(12-13)20(18,19)17-10-5-3-4-6-11-17/h7-9,12,15H,2-6,10-11,16H2,1H3.
What are the key properties of 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine?
1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine is sourced from PubChem (CID 60873787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).