N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide

C12H26N2O3S — CID 103895182

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H26N2O3S/c1-11(2,12(3,4)15)13-18(16,17)14-9-7-5-6-8-10-14/h13,15H,5-10H2,1-4H3
InChIKeyPLTIKFZPPTXQIJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.25
Rot. Bonds4

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide (PubChem CID 103895182) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide
PubChem CID103895182
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H26N2O3S/c1-11(2,12(3,4)15)13-18(16,17)14-9-7-5-6-8-10-14/h13,15H,5-10H2,1-4H3
InChIKeyPLTIKFZPPTXQIJ-UHFFFAOYSA-N
XLogP1.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide (CID 103895182) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide is CC(C)(O)C(C)(C)NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide?
The InChIKey is PLTIKFZPPTXQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-11(2,12(3,4)15)13-18(16,17)14-9-7-5-6-8-10-14/h13,15H,5-10H2,1-4H3.
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-1-sulfonamide is sourced from PubChem (CID 103895182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).