N-(2-aminoethyl)azepane-1-sulfonamide

C8H19N3O2S — CID 28783149

IUPACN-(2-aminoethyl)azepane-1-sulfonamide
SMILESNCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C8H19N3O2S/c9-5-6-10-14(12,13)11-7-3-1-2-4-8-11/h10H,1-9H2
InChIKeyVRZIXQUTAABUDF-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.34
Rot. Bonds4

About N-(2-aminoethyl)azepane-1-sulfonamide

N-(2-aminoethyl)azepane-1-sulfonamide (PubChem CID 28783149) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(2-aminoethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)azepane-1-sulfonamide
PubChem CID28783149
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN-(2-aminoethyl)azepane-1-sulfonamide
SMILESNCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C8H19N3O2S/c9-5-6-10-14(12,13)11-7-3-1-2-4-8-11/h10H,1-9H2
InChIKeyVRZIXQUTAABUDF-UHFFFAOYSA-N
XLogP-0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)azepane-1-sulfonamide (CID 28783149) is N-(2-aminoethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)azepane-1-sulfonamide is NCCNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(2-aminoethyl)azepane-1-sulfonamide?
The InChIKey is VRZIXQUTAABUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c9-5-6-10-14(12,13)11-7-3-1-2-4-8-11/h10H,1-9H2.
What are the key properties of N-(2-aminoethyl)azepane-1-sulfonamide?
N-(2-aminoethyl)azepane-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)azepane-1-sulfonamide is sourced from PubChem (CID 28783149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).