N-(3-methylsulfonylphenyl)pyrrolidin-3-amine

C11H16N2O2S — CID 79730618

IUPACN-(3-methylsulfonylphenyl)pyrrolidin-3-amine
SMILESCS(=O)(=O)c1cccc(NC2CCNC2)c1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-3-9(7-11)13-10-5-6-12-8-10/h2-4,7,10,12-13H,5-6,8H2,1H3
InChIKeyZHGQZUVLYKGVDS-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.86
Rot. Bonds3

About N-(3-methylsulfonylphenyl)pyrrolidin-3-amine

N-(3-methylsulfonylphenyl)pyrrolidin-3-amine (PubChem CID 79730618) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)pyrrolidin-3-amine
PubChem CID79730618
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(3-methylsulfonylphenyl)pyrrolidin-3-amine
SMILESCS(=O)(=O)c1cccc(NC2CCNC2)c1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-3-9(7-11)13-10-5-6-12-8-10/h2-4,7,10,12-13H,5-6,8H2,1H3
InChIKeyZHGQZUVLYKGVDS-UHFFFAOYSA-N
XLogP0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 124512100
5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
CID 79942473
2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide
CID 79724380
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 79730271
5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
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N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
3-methylsulfonyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79536883
N-[3-(2-methoxyethoxy)phenyl]pyrrolidin-3-amine
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CID 54861516

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)pyrrolidin-3-amine?
The IUPAC name of N-(3-methylsulfonylphenyl)pyrrolidin-3-amine (CID 79730618) is N-(3-methylsulfonylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(3-methylsulfonylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(3-methylsulfonylphenyl)pyrrolidin-3-amine is CS(=O)(=O)c1cccc(NC2CCNC2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)pyrrolidin-3-amine?
The InChIKey is ZHGQZUVLYKGVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-3-9(7-11)13-10-5-6-12-8-10/h2-4,7,10,12-13H,5-6,8H2,1H3.
What are the key properties of N-(3-methylsulfonylphenyl)pyrrolidin-3-amine?
N-(3-methylsulfonylphenyl)pyrrolidin-3-amine has a molecular weight of 240.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 79730618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).