1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine

C13H20N2O2S — CID 60871674

IUPAC1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
SMILESCCC(N)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H20N2O2S/c1-2-13(14)11-6-5-7-12(10-11)18(16,17)15-8-3-4-9-15/h5-7,10,13H,2-4,8-9,14H2,1H3
InChIKeyFMSUGJNJKBWCEL-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.88
Rot. Bonds4

About 1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine

1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine (PubChem CID 60871674) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
PubChem CID60871674
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
SMILESCCC(N)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H20N2O2S/c1-2-13(14)11-6-5-7-12(10-11)18(16,17)15-8-3-4-9-15/h5-7,10,13H,2-4,8-9,14H2,1H3
InChIKeyFMSUGJNJKBWCEL-UHFFFAOYSA-N
XLogP1.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
CID 60873787
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-propylphenyl)sulfonylpyrrolidine
CID 142264878
1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43585548
1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974927
1-(3-ethoxyphenyl)sulfonylpyrrolidine
CID 141152893
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine?
The IUPAC name of 1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine (CID 60871674) is 1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine?
The canonical SMILES for 1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine is CCC(N)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine?
The InChIKey is FMSUGJNJKBWCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-13(14)11-6-5-7-12(10-11)18(16,17)15-8-3-4-9-15/h5-7,10,13H,2-4,8-9,14H2,1H3.
What are the key properties of 1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine?
1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine has a molecular weight of 268.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine is sourced from PubChem (CID 60871674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).