2-(azepan-1-ylsulfonyl)ethanamine

C8H18N2O2S — CID 22692377

IUPAC2-(azepan-1-ylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C8H18N2O2S/c9-5-8-13(11,12)10-6-3-1-2-4-7-10/h1-9H2
InChIKeyNUQMYTVRCBDREG-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.15
Rot. Bonds3

About 2-(azepan-1-ylsulfonyl)ethanamine

2-(azepan-1-ylsulfonyl)ethanamine (PubChem CID 22692377) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(azepan-1-ylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-ylsulfonyl)ethanamine
PubChem CID22692377
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(azepan-1-ylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C8H18N2O2S/c9-5-8-13(11,12)10-6-3-1-2-4-7-10/h1-9H2
InChIKeyNUQMYTVRCBDREG-UHFFFAOYSA-N
XLogP0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylsulfonyl)butan-1-amine
CID 28704736
2-[(1-oxo-1,4-thiazepan-4-yl)sulfonyl]ethanamine
CID 127001312
1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
CID 4599987
2-piperazin-1-ylsulfonylethanamine
CID 16762501
1-(2-aminoethylsulfonyl)piperidin-4-one
CID 131168704
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
CID 90877511
2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride
CID 165475141
1-(2-methylsulfonylethylsulfonyl)azepane
CID 64592112
1-(2-aminoethylsulfonyl)piperidin-4-ol
CID 16781197
1-(3-methylbutylsulfonyl)piperidine
CID 58689013
2-[[8,15-bis(2-trimethylsilylethylsulfonyl)-1,8,15-triazacyclohenicos-1-yl]sulfonyl]ethyl-trimethylsilane
CID 101272185
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine
CID 115559716

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylsulfonyl)ethanamine?
The IUPAC name of 2-(azepan-1-ylsulfonyl)ethanamine (CID 22692377) is 2-(azepan-1-ylsulfonyl)ethanamine.
What is the SMILES notation for 2-(azepan-1-ylsulfonyl)ethanamine?
The canonical SMILES for 2-(azepan-1-ylsulfonyl)ethanamine is NCCS(=O)(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-ylsulfonyl)ethanamine?
The InChIKey is NUQMYTVRCBDREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c9-5-8-13(11,12)10-6-3-1-2-4-7-10/h1-9H2.
What are the key properties of 2-(azepan-1-ylsulfonyl)ethanamine?
2-(azepan-1-ylsulfonyl)ethanamine has a molecular weight of 206.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylsulfonyl)ethanamine is sourced from PubChem (CID 22692377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).