3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide

C10H21NO4S — CID 146509380

IUPAC3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide
SMILESCC(C)(CCS(N)(=O)=O)OC1CCCCO1
InChIInChI=1S/C10H21NO4S/c1-10(2,6-8-16(11,12)13)15-9-5-3-4-7-14-9/h9H,3-8H2,1-2H3,(H2,11,12,13)
InChIKeyLKNLSCJZRCZPTR-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.99
Rot. Bonds5

About 3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide

3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide (PubChem CID 146509380) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide
PubChem CID146509380
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide
SMILESCC(C)(CCS(N)(=O)=O)OC1CCCCO1
InChIInChI=1S/C10H21NO4S/c1-10(2,6-8-16(11,12)13)15-9-5-3-4-7-14-9/h9H,3-8H2,1-2H3,(H2,11,12,13)
InChIKeyLKNLSCJZRCZPTR-UHFFFAOYSA-N
XLogP0.99
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide?
The IUPAC name of 3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide (CID 146509380) is 3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide?
The canonical SMILES for 3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide is CC(C)(CCS(N)(=O)=O)OC1CCCCO1.
What is the InChIKey of 3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide?
The InChIKey is LKNLSCJZRCZPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-10(2,6-8-16(11,12)13)15-9-5-3-4-7-14-9/h9H,3-8H2,1-2H3,(H2,11,12,13).
What are the key properties of 3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide?
3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(oxan-2-yloxy)butane-1-sulfonamide is sourced from PubChem (CID 146509380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).