2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline

C15H25N3O2S — CID 43585004

IUPAC2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H25N3O2S/c1-11(2)17-7-9-18(10-8-17)21(19,20)15-12(3)5-6-14(16)13(15)4/h5-6,11H,7-10,16H2,1-4H3
InChIKeyYCGRNHDYTPSURU-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.60
Rot. Bonds3

About 2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline

2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline (PubChem CID 43585004) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
PubChem CID43585004
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H25N3O2S/c1-11(2)17-7-9-18(10-8-17)21(19,20)15-12(3)5-6-14(16)13(15)4/h5-6,11H,7-10,16H2,1-4H3
InChIKeyYCGRNHDYTPSURU-UHFFFAOYSA-N
XLogP1.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.60
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

1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835223
1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
CID 43257227
2-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
CID 43584968
2,4-dimethyl-3-(4-prop-2-ynylpiperazin-1-yl)sulfonylaniline
CID 61139574
[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258860
3-(1,3-dihydroisoindol-2-ylsulfonyl)-2,4-dimethylaniline
CID 62204818
2-bromo-4-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
CID 114625187
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-2,4-dimethylaniline
CID 65319389
1-(3-chloro-2-methylphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47203381
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 43257149
[4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol
CID 102749710

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline?
The IUPAC name of 2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline (CID 43585004) is 2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline.
What is the SMILES notation for 2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline?
The canonical SMILES for 2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline is Cc1ccc(N)c(C)c1S(=O)(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline?
The InChIKey is YCGRNHDYTPSURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(2)17-7-9-18(10-8-17)21(19,20)15-12(3)5-6-14(16)13(15)4/h5-6,11H,7-10,16H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline?
2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline has a molecular weight of 311.45 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline is sourced from PubChem (CID 43585004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).