4-hydroxy-N,4-dimethylazepane-1-sulfonamide

C8H18N2O3S — CID 107407112

IUPAC4-hydroxy-N,4-dimethylazepane-1-sulfonamide
SMILESCNS(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C8H18N2O3S/c1-8(11)4-3-6-10(7-5-8)14(12,13)9-2/h9,11H,3-7H2,1-2H3
InChIKeyXLESCWQBZOCWSF-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.31
Rot. Bonds2

About 4-hydroxy-N,4-dimethylazepane-1-sulfonamide

4-hydroxy-N,4-dimethylazepane-1-sulfonamide (PubChem CID 107407112) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-hydroxy-N,4-dimethylazepane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N,4-dimethylazepane-1-sulfonamide
PubChem CID107407112
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name4-hydroxy-N,4-dimethylazepane-1-sulfonamide
SMILESCNS(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C8H18N2O3S/c1-8(11)4-3-6-10(7-5-8)14(12,13)9-2/h9,11H,3-7H2,1-2H3
InChIKeyXLESCWQBZOCWSF-UHFFFAOYSA-N
XLogP-0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,4-dimethylazepane-1-sulfonamide?
The IUPAC name of 4-hydroxy-N,4-dimethylazepane-1-sulfonamide (CID 107407112) is 4-hydroxy-N,4-dimethylazepane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N,4-dimethylazepane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N,4-dimethylazepane-1-sulfonamide is CNS(=O)(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of 4-hydroxy-N,4-dimethylazepane-1-sulfonamide?
The InChIKey is XLESCWQBZOCWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-8(11)4-3-6-10(7-5-8)14(12,13)9-2/h9,11H,3-7H2,1-2H3.
What are the key properties of 4-hydroxy-N,4-dimethylazepane-1-sulfonamide?
4-hydroxy-N,4-dimethylazepane-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,4-dimethylazepane-1-sulfonamide is sourced from PubChem (CID 107407112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).