4-[2-(sulfamoylamino)ethyl]azepane

C8H19N3O2S — CID 156824067

IUPAC4-[2-(sulfamoylamino)ethyl]azepane
SMILESNS(=O)(=O)NCCC1CCCNCC1
InChIInChI=1S/C8H19N3O2S/c9-14(12,13)11-7-4-8-2-1-5-10-6-3-8/h8,10-11H,1-7H2,(H2,9,12,13)
InChIKeyFYQUIXZPHWJNTF-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.44
Rot. Bonds4

About 4-[2-(sulfamoylamino)ethyl]azepane

4-[2-(sulfamoylamino)ethyl]azepane (PubChem CID 156824067) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-[2-(sulfamoylamino)ethyl]azepane.

Molecular Properties

Compound Name4-[2-(sulfamoylamino)ethyl]azepane
PubChem CID156824067
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name4-[2-(sulfamoylamino)ethyl]azepane
SMILESNS(=O)(=O)NCCC1CCCNCC1
InChIInChI=1S/C8H19N3O2S/c9-14(12,13)11-7-4-8-2-1-5-10-6-3-8/h8,10-11H,1-7H2,(H2,9,12,13)
InChIKeyFYQUIXZPHWJNTF-UHFFFAOYSA-N
XLogP-0.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(sulfamoylamino)ethyl]azepane?
The IUPAC name of 4-[2-(sulfamoylamino)ethyl]azepane (CID 156824067) is 4-[2-(sulfamoylamino)ethyl]azepane.
What is the SMILES notation for 4-[2-(sulfamoylamino)ethyl]azepane?
The canonical SMILES for 4-[2-(sulfamoylamino)ethyl]azepane is NS(=O)(=O)NCCC1CCCNCC1.
What is the InChIKey of 4-[2-(sulfamoylamino)ethyl]azepane?
The InChIKey is FYQUIXZPHWJNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c9-14(12,13)11-7-4-8-2-1-5-10-6-3-8/h8,10-11H,1-7H2,(H2,9,12,13).
What are the key properties of 4-[2-(sulfamoylamino)ethyl]azepane?
4-[2-(sulfamoylamino)ethyl]azepane has a molecular weight of 221.33 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(sulfamoylamino)ethyl]azepane is sourced from PubChem (CID 156824067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).