4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide

C9H20N2O3S — CID 107407129

IUPAC4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C9H20N2O3S/c1-9(12)5-4-7-11(8-6-9)15(13,14)10(2)3/h12H,4-8H2,1-3H3
InChIKeyZNWNZVMSYOPMLY-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.03
Rot. Bonds2

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

4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide (PubChem CID 107407129) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide
PubChem CID107407129
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C9H20N2O3S/c1-9(12)5-4-7-11(8-6-9)15(13,14)10(2)3/h12H,4-8H2,1-3H3
InChIKeyZNWNZVMSYOPMLY-UHFFFAOYSA-N
XLogP0.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide?
The IUPAC name of 4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide (CID 107407129) is 4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of 4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide?
The InChIKey is ZNWNZVMSYOPMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9(12)5-4-7-11(8-6-9)15(13,14)10(2)3/h12H,4-8H2,1-3H3.
What are the key properties of 4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide?
4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide is sourced from PubChem (CID 107407129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).