[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine

C15H24N2O2S — CID 104689604

IUPAC[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine
SMILESCCC1CCCCCN1S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C15H24N2O2S/c1-2-14-9-4-3-7-11-17(14)20(18,19)15-10-6-5-8-13(15)12-16/h5-6,8,10,14H,2-4,7,9,11-12,16H2,1H3
InChIKeyVBJUDCUIDOMFFU-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.49
Rot. Bonds4

About [2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine

[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine (PubChem CID 104689604) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine
PubChem CID104689604
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine
SMILESCCC1CCCCCN1S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C15H24N2O2S/c1-2-14-9-4-3-7-11-17(14)20(18,19)15-10-6-5-8-13(15)12-16/h5-6,8,10,14H,2-4,7,9,11-12,16H2,1H3
InChIKeyVBJUDCUIDOMFFU-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine (CID 104689604) is [2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine is CCC1CCCCCN1S(=O)(=O)c1ccccc1CN.
What is the InChIKey of [2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine?
The InChIKey is VBJUDCUIDOMFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-14-9-4-3-7-11-17(14)20(18,19)15-10-6-5-8-13(15)12-16/h5-6,8,10,14H,2-4,7,9,11-12,16H2,1H3.
What are the key properties of [2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine?
[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 2.49, 4 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)sulfonylphenyl]methanamine is sourced from PubChem (CID 104689604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).