3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine

C14H22N2O2S — CID 83926312

IUPAC3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCS(=O)(=O)c1ccc(C(CCN)N2CCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)13-6-4-12(5-7-13)14(8-9-15)16-10-2-3-11-16/h4-7,14H,2-3,8-11,15H2,1H3
InChIKeyRTNHQEJJJYWNHR-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.58
Rot. Bonds5

About 3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine

3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 83926312) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID83926312
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCS(=O)(=O)c1ccc(C(CCN)N2CCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)13-6-4-12(5-7-13)14(8-9-15)16-10-2-3-11-16/h4-7,14H,2-3,8-11,15H2,1H3
InChIKeyRTNHQEJJJYWNHR-UHFFFAOYSA-N
XLogP1.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82023207
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171272714
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine;dihydrochloride
CID 171272715
4-(3-amino-1-pyrrolidin-1-ylpropyl)benzonitrile
CID 83927429
1-[(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171162701
(2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol
CID 171183294
3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83926435
4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 112501186
1-[(1S)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propyl]piperazine
CID 171162703
N,N-dimethyl-2-(4-methylsulfonylphenyl)butane-1,4-diamine
CID 112517542
3-methylsulfonyl-1-[1-(4-methylsulfonylphenyl)ethyl]piperidine
CID 136534212
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 83926312) is 3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine is CS(=O)(=O)c1ccc(C(CCN)N2CCCC2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is RTNHQEJJJYWNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)13-6-4-12(5-7-13)14(8-9-15)16-10-2-3-11-16/h4-7,14H,2-3,8-11,15H2,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 282.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 83926312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).