2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide

C14H29NO4S — CID 65005013

IUPAC2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide
SMILESCCCC(CCC)(COCC1CCOC1)CS(N)(=O)=O
InChIInChI=1S/C14H29NO4S/c1-3-6-14(7-4-2,12-20(15,16)17)11-19-10-13-5-8-18-9-13/h13H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyXKKQVMLFRXKTPJ-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.91
Rot. Bonds10

About 2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide

2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide (PubChem CID 65005013) has the molecular formula C14H29NO4S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide.

Molecular Properties

Compound Name2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide
PubChem CID65005013
Molecular FormulaC14H29NO4S
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Name2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide
SMILESCCCC(CCC)(COCC1CCOC1)CS(N)(=O)=O
InChIInChI=1S/C14H29NO4S/c1-3-6-14(7-4-2,12-20(15,16)17)11-19-10-13-5-8-18-9-13/h13H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyXKKQVMLFRXKTPJ-UHFFFAOYSA-N
XLogP1.91
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide?
The IUPAC name of 2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide (CID 65005013) is 2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide.
What is the SMILES notation for 2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide?
The canonical SMILES for 2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide is CCCC(CCC)(COCC1CCOC1)CS(N)(=O)=O.
What is the InChIKey of 2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide?
The InChIKey is XKKQVMLFRXKTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4S/c1-3-6-14(7-4-2,12-20(15,16)17)11-19-10-13-5-8-18-9-13/h13H,3-12H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide?
2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide has a molecular weight of 307.46 g/mol, XLogP of 1.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide is sourced from PubChem (CID 65005013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).