N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine

C19H28N2O2S — CID 14168435

IUPACN-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1ccn(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H28N2O2S/c1-4-12-20(13-5-2)14-10-18-11-15-21(16-18)24(22,23)19-8-6-17(3)7-9-19/h6-9,11,15-16H,4-5,10,12-14H2,1-3H3
InChIKeyNIUGDZLIUKUQMV-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.70
Rot. Bonds9

About N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine

N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine (PubChem CID 14168435) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine
PubChem CID14168435
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1ccn(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H28N2O2S/c1-4-12-20(13-5-2)14-10-18-11-15-21(16-18)24(22,23)19-8-6-17(3)7-9-19/h6-9,11,15-16H,4-5,10,12-14H2,1-3H3
InChIKeyNIUGDZLIUKUQMV-UHFFFAOYSA-N
XLogP3.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[di(propan-2-yl)amino]-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethoxy]phosphanyl]oxypropanenitrile
CID 71051413
1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride
CID 86232436
1-(4-methylcyclohexyl)-N-[[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methyl]methanamine
CID 142229183
1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol
CID 10378883
1-(1,3-benzodioxol-5-yl)-4-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]butan-1-ol
CID 134848959
3-[dideuterio-(3-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrole
CID 166153808
1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]octan-1-one
CID 14510074
3-[ethyl-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]propanoic acid
CID 119191230
3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole
CID 14168434
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
(E)-3-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide
CID 11558345
[4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanol
CID 23082148

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine (CID 14168435) is N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCc1ccn(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine?
The InChIKey is NIUGDZLIUKUQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-4-12-20(13-5-2)14-10-18-11-15-21(16-18)24(22,23)19-8-6-17(3)7-9-19/h6-9,11,15-16H,4-5,10,12-14H2,1-3H3.
What are the key properties of N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine?
N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine has a molecular weight of 348.51 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 14168435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).