4-hydroxy-4-methylazepane-1-sulfonamide

C7H16N2O3S — CID 107406904

IUPAC4-hydroxy-4-methylazepane-1-sulfonamide
SMILESCC1(O)CCCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H16N2O3S/c1-7(10)3-2-5-9(6-4-7)13(8,11)12/h10H,2-6H2,1H3,(H2,8,11,12)
InChIKeyQXHAZFZKRXIMKF-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.57
Rot. Bonds1

About 4-hydroxy-4-methylazepane-1-sulfonamide

4-hydroxy-4-methylazepane-1-sulfonamide (PubChem CID 107406904) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-hydroxy-4-methylazepane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-4-methylazepane-1-sulfonamide
PubChem CID107406904
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name4-hydroxy-4-methylazepane-1-sulfonamide
SMILESCC1(O)CCCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H16N2O3S/c1-7(10)3-2-5-9(6-4-7)13(8,11)12/h10H,2-6H2,1H3,(H2,8,11,12)
InChIKeyQXHAZFZKRXIMKF-UHFFFAOYSA-N
XLogP-0.57
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.57
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-Methyl-1-sulfanylazepan-4-ol
CID 141869144
N-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide
CID 103835328
N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
CID 107404128
1-Tert-butylsulfonyl-4-methylazepan-4-ol
CID 107406897
4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide
CID 107406906
4-Methyl-1-(4-methylpiperidin-1-yl)sulfonylazepan-4-ol
CID 107406910
N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
CID 107406915
N-ethyl-4-hydroxy-4-methylazepane-1-sulfonamide
CID 107406927
1-(Azepan-1-ylsulfonyl)-4-methylazepan-4-ol
CID 107406981
4-Methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol
CID 107407021
4-Methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
CID 107407041

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methylazepane-1-sulfonamide?
The IUPAC name of 4-hydroxy-4-methylazepane-1-sulfonamide (CID 107406904) is 4-hydroxy-4-methylazepane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-4-methylazepane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-4-methylazepane-1-sulfonamide is CC1(O)CCCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-hydroxy-4-methylazepane-1-sulfonamide?
The InChIKey is QXHAZFZKRXIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-7(10)3-2-5-9(6-4-7)13(8,11)12/h10H,2-6H2,1H3,(H2,8,11,12).
What are the key properties of 4-hydroxy-4-methylazepane-1-sulfonamide?
4-hydroxy-4-methylazepane-1-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methylazepane-1-sulfonamide is sourced from PubChem (CID 107406904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).