4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide

C10H22N2O3S — CID 107406906

IUPAC4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C10H22N2O3S/c1-3-7-11-16(14,15)12-8-4-5-10(2,13)6-9-12/h11,13H,3-9H2,1-2H3
InChIKeyROBODPFOAQOWPD-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.47
Rot. Bonds4

About 4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide

4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide (PubChem CID 107406906) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide
PubChem CID107406906
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C10H22N2O3S/c1-3-7-11-16(14,15)12-8-4-5-10(2,13)6-9-12/h11,13H,3-9H2,1-2H3
InChIKeyROBODPFOAQOWPD-UHFFFAOYSA-N
XLogP0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide?
The IUPAC name of 4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide (CID 107406906) is 4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide is CCCNS(=O)(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of 4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide?
The InChIKey is ROBODPFOAQOWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-7-11-16(14,15)12-8-4-5-10(2,13)6-9-12/h11,13H,3-9H2,1-2H3.
What are the key properties of 4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide?
4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methyl-N-propylazepane-1-sulfonamide is sourced from PubChem (CID 107406906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).