2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide

C14H31NO4S — CID 89019082

IUPAC2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide
SMILESCCC(CC)(CO)COCC(CC)(CC)CS(N)(=O)=O
InChIInChI=1S/C14H31NO4S/c1-5-13(6-2,9-16)10-19-11-14(7-3,8-4)12-20(15,17)18/h16H,5-12H2,1-4H3,(H2,15,17,18)
InChIKeyXYIKMSMSBWJNLV-UHFFFAOYSA-N
MW309.47 g/mol
LogP1.90
Rot. Bonds11

About 2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide

2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide (PubChem CID 89019082) has the molecular formula C14H31NO4S and a molecular weight of 309.47 g/mol. Its IUPAC name is 2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide
PubChem CID89019082
Molecular FormulaC14H31NO4S
Molecular Weight309.47 g/mol
Exact Mass309.20
IUPAC Name2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide
SMILESCCC(CC)(CO)COCC(CC)(CC)CS(N)(=O)=O
InChIInChI=1S/C14H31NO4S/c1-5-13(6-2,9-16)10-19-11-14(7-3,8-4)12-20(15,17)18/h16H,5-12H2,1-4H3,(H2,15,17,18)
InChIKeyXYIKMSMSBWJNLV-UHFFFAOYSA-N
XLogP1.90
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide?
The IUPAC name of 2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide (CID 89019082) is 2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide.
What is the SMILES notation for 2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide?
The canonical SMILES for 2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide is CCC(CC)(CO)COCC(CC)(CC)CS(N)(=O)=O.
What is the InChIKey of 2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide?
The InChIKey is XYIKMSMSBWJNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4S/c1-5-13(6-2,9-16)10-19-11-14(7-3,8-4)12-20(15,17)18/h16H,5-12H2,1-4H3,(H2,15,17,18).
What are the key properties of 2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide?
2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide has a molecular weight of 309.47 g/mol, XLogP of 1.90, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butoxy]methyl]butane-1-sulfonamide is sourced from PubChem (CID 89019082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).