4-(sulfamoylamino)azepane

C6H15N3O2S — CID 107172753

IUPAC4-(sulfamoylamino)azepane
SMILESNS(=O)(=O)NC1CCCNCC1
InChIInChI=1S/C6H15N3O2S/c7-12(10,11)9-6-2-1-4-8-5-3-6/h6,8-9H,1-5H2,(H2,7,10,11)
InChIKeyGVAXSMGDUUHSMD-UHFFFAOYSA-N
MW193.27 g/mol
LogP-1.08
Rot. Bonds2

About 4-(sulfamoylamino)azepane

4-(sulfamoylamino)azepane (PubChem CID 107172753) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-(sulfamoylamino)azepane.

Molecular Properties

Compound Name4-(sulfamoylamino)azepane
PubChem CID107172753
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC Name4-(sulfamoylamino)azepane
SMILESNS(=O)(=O)NC1CCCNCC1
InChIInChI=1S/C6H15N3O2S/c7-12(10,11)9-6-2-1-4-8-5-3-6/h6,8-9H,1-5H2,(H2,7,10,11)
InChIKeyGVAXSMGDUUHSMD-UHFFFAOYSA-N
XLogP-1.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(sulfamoylamino)azepane?
The IUPAC name of 4-(sulfamoylamino)azepane (CID 107172753) is 4-(sulfamoylamino)azepane.
What is the SMILES notation for 4-(sulfamoylamino)azepane?
The canonical SMILES for 4-(sulfamoylamino)azepane is NS(=O)(=O)NC1CCCNCC1.
What is the InChIKey of 4-(sulfamoylamino)azepane?
The InChIKey is GVAXSMGDUUHSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c7-12(10,11)9-6-2-1-4-8-5-3-6/h6,8-9H,1-5H2,(H2,7,10,11).
What are the key properties of 4-(sulfamoylamino)azepane?
4-(sulfamoylamino)azepane has a molecular weight of 193.27 g/mol, XLogP of -1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfamoylamino)azepane is sourced from PubChem (CID 107172753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).