4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline

C15H24N2O3S — CID 83053094

IUPAC4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(N)ccc1OC
InChIInChI=1S/C15H24N2O3S/c1-3-6-13-7-4-5-10-17(13)21(18,19)15-11-12(16)8-9-14(15)20-2/h8-9,11,13H,3-7,10,16H2,1-2H3
InChIKeyNFHYNMNKYXWTBE-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.62
Rot. Bonds5

About 4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline

4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline (PubChem CID 83053094) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline
PubChem CID83053094
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(N)ccc1OC
InChIInChI=1S/C15H24N2O3S/c1-3-6-13-7-4-5-10-17(13)21(18,19)15-11-12(16)8-9-14(15)20-2/h8-9,11,13H,3-7,10,16H2,1-2H3
InChIKeyNFHYNMNKYXWTBE-UHFFFAOYSA-N
XLogP2.62
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylazepan-1-yl)sulfonyl-4-methoxyaniline
CID 104688731
[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212367
5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052764
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783
2-[[3-(2-ethylpiperidin-1-yl)sulfonyl-4-methoxyphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 50769270
3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline
CID 107208527
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
3-(4-cyclopropylpiperazin-1-yl)sulfonyl-4-methoxyaniline
CID 61140630
3-bromo-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 54882786
4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541753
3-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 54882929
N-methyl-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83062064

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline (CID 83053094) is 4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline is CCCC1CCCCN1S(=O)(=O)c1cc(N)ccc1OC.
What is the InChIKey of 4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline?
The InChIKey is NFHYNMNKYXWTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-6-13-7-4-5-10-17(13)21(18,19)15-11-12(16)8-9-14(15)20-2/h8-9,11,13H,3-7,10,16H2,1-2H3.
What are the key properties of 4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline?
4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline has a molecular weight of 312.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 83053094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).