3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide

C10H21NO4S — CID 65011580

IUPAC3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide
SMILESCC(C)C(COC1CCOC1)CS(N)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-8(2)9(7-16(11,12)13)5-15-10-3-4-14-6-10/h8-10H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyQIYFLYATKSCQBI-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.35
Rot. Bonds6

About 3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide

3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide (PubChem CID 65011580) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide
PubChem CID65011580
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide
SMILESCC(C)C(COC1CCOC1)CS(N)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-8(2)9(7-16(11,12)13)5-15-10-3-4-14-6-10/h8-10H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyQIYFLYATKSCQBI-UHFFFAOYSA-N
XLogP0.35
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide?
The IUPAC name of 3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide (CID 65011580) is 3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide?
The canonical SMILES for 3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide is CC(C)C(COC1CCOC1)CS(N)(=O)=O.
What is the InChIKey of 3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide?
The InChIKey is QIYFLYATKSCQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-8(2)9(7-16(11,12)13)5-15-10-3-4-14-6-10/h8-10H,3-7H2,1-2H3,(H2,11,12,13).
What are the key properties of 3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide?
3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 65011580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).