N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline

C14H22N2O3S — CID 107328906

IUPACN,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline
SMILESCNc1cc(C)c(S(=O)(=O)N2CCCOCC2)c(C)c1
InChIInChI=1S/C14H22N2O3S/c1-11-9-13(15-3)10-12(2)14(11)20(17,18)16-5-4-7-19-8-6-16/h9-10,15H,4-8H2,1-3H3
InChIKeyPRHXOZPWIARPNH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.76
Rot. Bonds3

About N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline

N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline (PubChem CID 107328906) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline.

Molecular Properties

Compound NameN,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline
PubChem CID107328906
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline
SMILESCNc1cc(C)c(S(=O)(=O)N2CCCOCC2)c(C)c1
InChIInChI=1S/C14H22N2O3S/c1-11-9-13(15-3)10-12(2)14(11)20(17,18)16-5-4-7-19-8-6-16/h9-10,15H,4-8H2,1-3H3
InChIKeyPRHXOZPWIARPNH-UHFFFAOYSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 107328424
[4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine
CID 107327752
4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine
CID 7731309
4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 107328595
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
N-[[4-methyl-3-(1,4-oxazepan-4-ylsulfonyl)thiophen-2-yl]methyl]cyclopropanamine
CID 102753555
[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 17482039
4-[3-(chloromethyl)-4-fluoro-5-methylphenyl]sulfonyl-1,4-oxazepane
CID 81435742
1-[3,4-difluoro-5-(1,4-oxazepan-4-ylsulfonyl)phenyl]-N-methylmethanamine
CID 105121814
N-(4-fluoro-3-methylphenyl)-3-(1,4-oxazepan-4-ylsulfonyl)benzamide
CID 123184223
4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 26843191
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline?
The IUPAC name of N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline (CID 107328906) is N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline.
What is the SMILES notation for N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline?
The canonical SMILES for N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline is CNc1cc(C)c(S(=O)(=O)N2CCCOCC2)c(C)c1.
What is the InChIKey of N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline?
The InChIKey is PRHXOZPWIARPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-9-13(15-3)10-12(2)14(11)20(17,18)16-5-4-7-19-8-6-16/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline?
N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline has a molecular weight of 298.41 g/mol, XLogP of 1.76, 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-(1,4-oxazepan-4-ylsulfonyl)aniline is sourced from PubChem (CID 107328906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).