N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide

C9H20N2O3S — CID 107406927

IUPACN-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C9H20N2O3S/c1-3-10-15(13,14)11-7-4-5-9(2,12)6-8-11/h10,12H,3-8H2,1-2H3
InChIKeyCJOYAAOPOAXDJJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.08
Rot. Bonds3

About N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide

N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide (PubChem CID 107406927) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide
PubChem CID107406927
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C9H20N2O3S/c1-3-10-15(13,14)11-7-4-5-9(2,12)6-8-11/h10,12H,3-8H2,1-2H3
InChIKeyCJOYAAOPOAXDJJ-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide
CID 107407040
4-(Aminomethyl)-1-methylazepan-4-ol
CID 65074910
4-(Aminomethyl)-1-ethylazepan-4-ol
CID 65077341
4-(Methylaminomethyl)azepan-4-ol
CID 105431060
4-[(Disulfanylamino)methyl]azepan-4-ol
CID 123826289
(4-Hydroxy-1-methylazepan-4-yl)methylazanium
CID 146923194
(4S)-4-ethylazepan-4-ol
CID 155155678
4-Ethylazepan-4-ol
CID 55296565
4-(Aminomethyl)-1-propylazepan-4-ol
CID 65077342
N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide
CID 65112793
N-(2-ethyl-2-hydroxybutyl)azepane-1-sulfonamide
CID 65113009
N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 65113091

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide?
The IUPAC name of N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide (CID 107406927) is N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide.
What is the SMILES notation for N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide?
The canonical SMILES for N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide is CCNS(=O)(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide?
The InChIKey is CJOYAAOPOAXDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-10-15(13,14)11-7-4-5-9(2,12)6-8-11/h10,12H,3-8H2,1-2H3.
What are the key properties of N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide?
N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide is sourced from PubChem (CID 107406927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).