2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline

C15H24N2O2S — CID 104688760

IUPAC2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline
SMILESCCC1CCCCCN1S(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C15H24N2O2S/c1-3-13-9-5-4-6-11-17(13)20(18,19)15-12(2)8-7-10-14(15)16/h7-8,10,13H,3-6,9,11,16H2,1-2H3
InChIKeyDGUOYEMWJFULMA-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.92
Rot. Bonds3

About 2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline

2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline (PubChem CID 104688760) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline
PubChem CID104688760
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline
SMILESCCC1CCCCCN1S(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C15H24N2O2S/c1-3-13-9-5-4-6-11-17(13)20(18,19)15-12(2)8-7-10-14(15)16/h7-8,10,13H,3-6,9,11,16H2,1-2H3
InChIKeyDGUOYEMWJFULMA-UHFFFAOYSA-N
XLogP2.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
CID 79588507
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-methylaniline
CID 82746459
3-(2-ethylpiperidin-1-yl)sulfonyl-2-nitroaniline
CID 115993347
5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 54883049
2-chloro-4-(2-ethylazepan-1-yl)sulfonylaniline
CID 104690556
4-(2-ethylazepan-1-yl)sulfonyl-2-fluoroaniline
CID 104688737
4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine
CID 56923137
[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine
CID 104689604
3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol
CID 59367770
5-chloro-3-(2-ethylazepan-1-yl)sulfonyl-2-methylaniline
CID 114380157
2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline
CID 62332105
3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 61116191

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline?
The IUPAC name of 2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline (CID 104688760) is 2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline?
The canonical SMILES for 2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline is CCC1CCCCCN1S(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline?
The InChIKey is DGUOYEMWJFULMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-13-9-5-4-6-11-17(13)20(18,19)15-12(2)8-7-10-14(15)16/h7-8,10,13H,3-6,9,11,16H2,1-2H3.
What are the key properties of 2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline?
2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline is sourced from PubChem (CID 104688760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).