N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide

C11H24N2O3S — CID 66107139

IUPACN-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
SMILESCC(CCO)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H24N2O3S/c1-11(6-9-14)10-12-17(15,16)13-7-4-2-3-5-8-13/h11-12,14H,2-10H2,1H3
InChIKeyBCLIBXGDDVVLTL-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.72
Rot. Bonds6

About N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide

N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide (PubChem CID 66107139) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
PubChem CID66107139
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
SMILESCC(CCO)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H24N2O3S/c1-11(6-9-14)10-12-17(15,16)13-7-4-2-3-5-8-13/h11-12,14H,2-10H2,1H3
InChIKeyBCLIBXGDDVVLTL-UHFFFAOYSA-N
XLogP0.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide (CID 66107139) is N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide is CC(CCO)CNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide?
The InChIKey is BCLIBXGDDVVLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-11(6-9-14)10-12-17(15,16)13-7-4-2-3-5-8-13/h11-12,14H,2-10H2,1H3.
What are the key properties of N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide?
N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide is sourced from PubChem (CID 66107139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).