1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide

C11H23NO4S — CID 166565558

IUPAC1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide
SMILESCC(C)CCCNS(=O)(=O)CC1COCCO1
InChIInChI=1S/C11H23NO4S/c1-10(2)4-3-5-12-17(13,14)9-11-8-15-6-7-16-11/h10-12H,3-9H2,1-2H3
InChIKeyPAGPKZBUOUQLKL-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.76
Rot. Bonds7

About 1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide

1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide (PubChem CID 166565558) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide
PubChem CID166565558
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide
SMILESCC(C)CCCNS(=O)(=O)CC1COCCO1
InChIInChI=1S/C11H23NO4S/c1-10(2)4-3-5-12-17(13,14)9-11-8-15-6-7-16-11/h10-12H,3-9H2,1-2H3
InChIKeyPAGPKZBUOUQLKL-UHFFFAOYSA-N
XLogP0.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(1,4-dioxan-2-yl)methanesulfonamide
CID 156186388
N-(5-methylhexyl)oxane-4-sulfonamide
CID 172505553
N-(4-amino-2-ethylbutyl)-2-propan-2-yloxyethanesulfonamide
CID 80314166
N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yloxyethanesulfonamide
CID 102912941
N-[2-(2-aminoethyl)pentyl]-2-propan-2-yloxyethanesulfonamide
CID 106116315
N-(5-amino-4-methylpentyl)oxane-4-sulfonamide
CID 106154225
N-(5-amino-4-methylpentyl)-2-ethoxyethanesulfonamide
CID 106154268
N-(5-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide
CID 106154298
2-(2-methoxyethoxy)-N-(3-methylbutyl)ethanesulfonamide
CID 110415654
N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)ethanesulfonamide
CID 110611321
N-(cyclopentylmethyl)-2-(2-methoxyethoxy)ethanesulfonamide
CID 110627609
N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide
CID 113317242

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide (CID 166565558) is 1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide is CC(C)CCCNS(=O)(=O)CC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide?
The InChIKey is PAGPKZBUOUQLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-10(2)4-3-5-12-17(13,14)9-11-8-15-6-7-16-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide?
1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide has a molecular weight of 265.37 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-(4-methylpentyl)methanesulfonamide is sourced from PubChem (CID 166565558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).