2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline

C15H24N2O2S — CID 61474408

IUPAC2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline
SMILESCCS(=O)(=O)c1ccccc1NC(C)CN1CCCC1
InChIInChI=1S/C15H24N2O2S/c1-3-20(18,19)15-9-5-4-8-14(15)16-13(2)12-17-10-6-7-11-17/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3
InChIKeyDHIKJAWJNOVPKL-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.38
Rot. Bonds6

About 2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline

2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline (PubChem CID 61474408) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline
PubChem CID61474408
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline
SMILESCCS(=O)(=O)c1ccccc1NC(C)CN1CCCC1
InChIInChI=1S/C15H24N2O2S/c1-3-20(18,19)15-9-5-4-8-14(15)16-13(2)12-17-10-6-7-11-17/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3
InChIKeyDHIKJAWJNOVPKL-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62994733
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62232558
2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
CID 43453587
N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide
CID 62994735
2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
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2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43738209
2-(2-ethylsulfonylanilino)-N-methylpropanamide
CID 54950934
2-bromo-6-(1-piperidin-1-ylpropan-2-ylamino)benzoic acid
CID 114888005
N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
CID 61000541
2-ethylsulfonyl-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 93096842
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170
2-nitro-3-N-(1-piperidin-1-ylpropan-2-yl)benzene-1,3-diamine
CID 80802240

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline?
The IUPAC name of 2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline (CID 61474408) is 2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline?
The canonical SMILES for 2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline is CCS(=O)(=O)c1ccccc1NC(C)CN1CCCC1.
What is the InChIKey of 2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline?
The InChIKey is DHIKJAWJNOVPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-20(18,19)15-9-5-4-8-14(15)16-13(2)12-17-10-6-7-11-17/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline?
2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline has a molecular weight of 296.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline is sourced from PubChem (CID 61474408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).