4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline

C15H24N2O3S — CID 81175150

IUPAC4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline
SMILESCCOc1ccc(N)c(S(=O)(=O)CCCN2CCCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-2-20-13-6-7-14(16)15(12-13)21(18,19)11-5-10-17-8-3-4-9-17/h6-7,12H,2-5,8-11,16H2,1H3
InChIKeyFOKSVYJFSUWKFZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.93
Rot. Bonds7

About 4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline

4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline (PubChem CID 81175150) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline.

Molecular Properties

Compound Name4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline
PubChem CID81175150
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline
SMILESCCOc1ccc(N)c(S(=O)(=O)CCCN2CCCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-2-20-13-6-7-14(16)15(12-13)21(18,19)11-5-10-17-8-3-4-9-17/h6-7,12H,2-5,8-11,16H2,1H3
InChIKeyFOKSVYJFSUWKFZ-UHFFFAOYSA-N
XLogP1.93
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol
CID 107707390
4-ethoxy-2-(4-methoxybutylsulfonyl)aniline
CID 104650980
4-ethoxy-2-(3-imidazol-1-ylpropylsulfonyl)aniline
CID 81175287
4-ethoxy-2-(2-fluoroethylsulfonyl)aniline
CID 81176417
4-ethoxy-2-(3-methylbutylsulfonyl)aniline
CID 81175786
4-ethoxy-2-(ethoxymethylsulfonyl)aniline
CID 81174679
4-ethoxy-2-[2-(trifluoromethoxy)ethylsulfonyl]aniline
CID 81174673
4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]aniline
CID 82888470
2-(2-amino-5-ethoxyphenyl)sulfonylacetamide
CID 81176156
4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline
CID 102879919
4-ethoxy-2-(2-pyridin-2-ylethylsulfonyl)aniline
CID 81174676
2-cycloheptylsulfonyl-4-ethoxyaniline
CID 82935829

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline?
The IUPAC name of 4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline (CID 81175150) is 4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline.
What is the SMILES notation for 4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline?
The canonical SMILES for 4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline is CCOc1ccc(N)c(S(=O)(=O)CCCN2CCCC2)c1.
What is the InChIKey of 4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline?
The InChIKey is FOKSVYJFSUWKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-20-13-6-7-14(16)15(12-13)21(18,19)11-5-10-17-8-3-4-9-17/h6-7,12H,2-5,8-11,16H2,1H3.
What are the key properties of 4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline?
4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline has a molecular weight of 312.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline is sourced from PubChem (CID 81175150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).