N-(2-amino-4-methylpentyl)oxane-4-sulfonamide

C11H24N2O3S — CID 62047909

IUPACN-(2-amino-4-methylpentyl)oxane-4-sulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H24N2O3S/c1-9(2)7-10(12)8-13-17(14,15)11-3-5-16-6-4-11/h9-11,13H,3-8,12H2,1-2H3
InChIKeySCOHDGGTTDKVAR-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.46
Rot. Bonds6

About N-(2-amino-4-methylpentyl)oxane-4-sulfonamide

N-(2-amino-4-methylpentyl)oxane-4-sulfonamide (PubChem CID 62047909) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)oxane-4-sulfonamide
PubChem CID62047909
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(2-amino-4-methylpentyl)oxane-4-sulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H24N2O3S/c1-9(2)7-10(12)8-13-17(14,15)11-3-5-16-6-4-11/h9-11,13H,3-8,12H2,1-2H3
InChIKeySCOHDGGTTDKVAR-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)oxane-4-sulfonamide?
The IUPAC name of N-(2-amino-4-methylpentyl)oxane-4-sulfonamide (CID 62047909) is N-(2-amino-4-methylpentyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)oxane-4-sulfonamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)oxane-4-sulfonamide is CC(C)CC(N)CNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-amino-4-methylpentyl)oxane-4-sulfonamide?
The InChIKey is SCOHDGGTTDKVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-9(2)7-10(12)8-13-17(14,15)11-3-5-16-6-4-11/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of N-(2-amino-4-methylpentyl)oxane-4-sulfonamide?
N-(2-amino-4-methylpentyl)oxane-4-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)oxane-4-sulfonamide is sourced from PubChem (CID 62047909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).