[6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine

C14H23N3O2S — CID 104692865

IUPAC[6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine
SMILESCCC1CCCCCN1S(=O)(=O)c1ccc(CN)cn1
InChIInChI=1S/C14H23N3O2S/c1-2-13-6-4-3-5-9-17(13)20(18,19)14-8-7-12(10-15)11-16-14/h7-8,11,13H,2-6,9-10,15H2,1H3
InChIKeyIPONMBJBIQHQKH-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.88
Rot. Bonds4

About [6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine

[6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine (PubChem CID 104692865) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is [6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine
PubChem CID104692865
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name[6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine
SMILESCCC1CCCCCN1S(=O)(=O)c1ccc(CN)cn1
InChIInChI=1S/C14H23N3O2S/c1-2-13-6-4-3-5-9-17(13)20(18,19)14-8-7-12(10-15)11-16-14/h7-8,11,13H,2-6,9-10,15H2,1H3
InChIKeyIPONMBJBIQHQKH-UHFFFAOYSA-N
XLogP1.88
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(chloromethyl)-2-pyridinyl]sulfonyl]-2-ethylazepane
CID 104692863
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine
CID 82751843
[1-[(5-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 71638663
[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine
CID 104689604
[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 54885835
5-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-2-sulfonamide
CID 106002921
[5-(2-ethylpiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 61329304
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773
1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine
CID 62922384
[6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine
CID 66383105
[3-bromo-4-(2-ethylazepan-1-yl)sulfonylphenyl]methanol
CID 104692826
2-ethyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 2787058

Frequently Asked Questions

What is the IUPAC name of [6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine (CID 104692865) is [6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine is CCC1CCCCCN1S(=O)(=O)c1ccc(CN)cn1.
What is the InChIKey of [6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine?
The InChIKey is IPONMBJBIQHQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-13-6-4-3-5-9-17(13)20(18,19)14-8-7-12(10-15)11-16-14/h7-8,11,13H,2-6,9-10,15H2,1H3.
What are the key properties of [6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine?
[6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine has a molecular weight of 297.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine is sourced from PubChem (CID 104692865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).