4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline

C14H23N3O2S — CID 62148455

IUPAC4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline
SMILESCCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-3-8-15-13-4-6-14(7-5-13)20(18,19)17-11-9-16(2)10-12-17/h4-7,15H,3,8-12H2,1-2H3
InChIKeyCNUGWFVEWKOBTQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.44
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline

4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline (PubChem CID 62148455) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline
PubChem CID62148455
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline
SMILESCCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-3-8-15-13-4-6-14(7-5-13)20(18,19)17-11-9-16(2)10-12-17/h4-7,15H,3,8-12H2,1-2H3
InChIKeyCNUGWFVEWKOBTQ-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol
CID 62144901
4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline
CID 63626359
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline
CID 86099382
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
1-(4-ethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea
CID 25238406
4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-N-propylaniline
CID 62158432
4-(4-benzylpiperidin-1-yl)sulfonyl-N-butylaniline
CID 110826779
3-fluoro-4-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 37007638

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline (CID 62148455) is 4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline is CCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline?
The InChIKey is CNUGWFVEWKOBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-8-15-13-4-6-14(7-5-13)20(18,19)17-11-9-16(2)10-12-17/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline?
4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline has a molecular weight of 297.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline is sourced from PubChem (CID 62148455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).