2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide

C10H21NO3S — CID 129167034

IUPAC2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide
SMILESCCC(C)(C)S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C10H21NO3S/c1-4-10(2,3)15(12,13)11-8-9-6-5-7-14-9/h9,11H,4-8H2,1-3H3
InChIKeyCJPYXUQVTMEWHG-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.27
Rot. Bonds5

About 2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide

2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide (PubChem CID 129167034) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide
PubChem CID129167034
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide
SMILESCCC(C)(C)S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C10H21NO3S/c1-4-10(2,3)15(12,13)11-8-9-6-5-7-14-9/h9,11H,4-8H2,1-3H3
InChIKeyCJPYXUQVTMEWHG-UHFFFAOYSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide (CID 129167034) is 2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide is CCC(C)(C)S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide?
The InChIKey is CJPYXUQVTMEWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-4-10(2,3)15(12,13)11-8-9-6-5-7-14-9/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide?
2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide is sourced from PubChem (CID 129167034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).