N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline

C15H25N3O2S — CID 107328424

IUPACN,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
SMILESCNc1cc(C)c(S(=O)(=O)N2CCCN(C)CC2)c(C)c1
InChIInChI=1S/C15H25N3O2S/c1-12-10-14(16-3)11-13(2)15(12)21(19,20)18-7-5-6-17(4)8-9-18/h10-11,16H,5-9H2,1-4H3
InChIKeyCHAVYMDVAJSZER-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.67
Rot. Bonds3

About N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline

N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline (PubChem CID 107328424) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline.

Molecular Properties

Compound NameN,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
PubChem CID107328424
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
SMILESCNc1cc(C)c(S(=O)(=O)N2CCCN(C)CC2)c(C)c1
InChIInChI=1S/C15H25N3O2S/c1-12-10-14(16-3)11-13(2)15(12)21(19,20)18-7-5-6-17(4)8-9-18/h10-11,16H,5-9H2,1-4H3
InChIKeyCHAVYMDVAJSZER-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 107328906
[4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine
CID 107327752
4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 107328595
1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 2354155
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepane
CID 16768219
1-(2,4-dimethyl-5-nitrophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 162728083
N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine
CID 103302994
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 95753283
1-(3,4-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350706
[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine
CID 107327782
1-[4-fluoro-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 102920281

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline?
The IUPAC name of N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline (CID 107328424) is N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline.
What is the SMILES notation for N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline?
The canonical SMILES for N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline is CNc1cc(C)c(S(=O)(=O)N2CCCN(C)CC2)c(C)c1.
What is the InChIKey of N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline?
The InChIKey is CHAVYMDVAJSZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-10-14(16-3)11-13(2)15(12)21(19,20)18-7-5-6-17(4)8-9-18/h10-11,16H,5-9H2,1-4H3.
What are the key properties of N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline?
N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline has a molecular weight of 311.45 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline is sourced from PubChem (CID 107328424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).