N-ethylazepane-1-sulfonamide

C8H18N2O2S — CID 43213421

IUPACN-ethylazepane-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C8H18N2O2S/c1-2-9-13(11,12)10-7-5-3-4-6-8-10/h9H,2-8H2,1H3
InChIKeyHQAQTQJTAKIIEH-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.72
Rot. Bonds3

About N-ethylazepane-1-sulfonamide

N-ethylazepane-1-sulfonamide (PubChem CID 43213421) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-ethylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-ethylazepane-1-sulfonamide
PubChem CID43213421
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-ethylazepane-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C8H18N2O2S/c1-2-9-13(11,12)10-7-5-3-4-6-8-10/h9H,2-8H2,1H3
InChIKeyHQAQTQJTAKIIEH-UHFFFAOYSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylamino)ethyl]azepane-1-sulfonamide
CID 62665481
N-(methylaminomethyl)piperidine-1-sulfonamide
CID 117126231
N-[2-(propylamino)ethyl]azepane-1-sulfonamide
CID 62665322
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
N-methylazocane-1-sulfonamide
CID 130686123
N-methylazepane-1-sulfonamide
CID 28784575
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
N-(2-chloropropyl)pyrrolidine-1-sulfonamide
CID 65033458
N-(3-bromobutyl)piperidine-1-sulfonamide
CID 114297689
N-(3-hydroxybutyl)piperidine-1-sulfonamide
CID 64911230
N-[(3R)-3-aminobutyl]azepane-1-sulfonamide
CID 95037628

Frequently Asked Questions

What is the IUPAC name of N-ethylazepane-1-sulfonamide?
The IUPAC name of N-ethylazepane-1-sulfonamide (CID 43213421) is N-ethylazepane-1-sulfonamide.
What is the SMILES notation for N-ethylazepane-1-sulfonamide?
The canonical SMILES for N-ethylazepane-1-sulfonamide is CCNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-ethylazepane-1-sulfonamide?
The InChIKey is HQAQTQJTAKIIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-2-9-13(11,12)10-7-5-3-4-6-8-10/h9H,2-8H2,1H3.
What are the key properties of N-ethylazepane-1-sulfonamide?
N-ethylazepane-1-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylazepane-1-sulfonamide is sourced from PubChem (CID 43213421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).