4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide

C9H21NO3S — CID 10727803

IUPAC4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide
SMILESCCC(CC)(CO)CCCS(N)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-3-9(4-2,8-11)6-5-7-14(10,12)13/h11H,3-8H2,1-2H3,(H2,10,12,13)
InChIKeySSQGPWQKKCMXMW-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.85
Rot. Bonds7

About 4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide

4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide (PubChem CID 10727803) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide.

Molecular Properties

Compound Name4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide
PubChem CID10727803
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide
SMILESCCC(CC)(CO)CCCS(N)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-3-9(4-2,8-11)6-5-7-14(10,12)13/h11H,3-8H2,1-2H3,(H2,10,12,13)
InChIKeySSQGPWQKKCMXMW-UHFFFAOYSA-N
XLogP0.85
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide
CID 23390845
5,5-diethylnonane-1-sulfonamide
CID 57243895
3,3-diethylpentane-1-sulfonamide
CID 154281864
2-(3-ethylsulfonylpropyl)-2-propylpropane-1,3-diol
CID 79450281
2,2,5,5-tetraethylheptan-1-ol
CID 20826079
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
CID 103844834
2-ethyl-2-(hydroxymethyl)pentane-1,5-diol;hydrate
CID 174549164
butane-1-sulfonamide;trifluoromethanesulfonamide
CID 87836175
propane-1,3-disulfonamide
CID 22153832
3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
4-hydroxybutane-1-sulfonamide
CID 21436386

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide?
The IUPAC name of 4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide (CID 10727803) is 4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide.
What is the SMILES notation for 4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide?
The canonical SMILES for 4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide is CCC(CC)(CO)CCCS(N)(=O)=O.
What is the InChIKey of 4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide?
The InChIKey is SSQGPWQKKCMXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-3-9(4-2,8-11)6-5-7-14(10,12)13/h11H,3-8H2,1-2H3,(H2,10,12,13).
What are the key properties of 4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide?
4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide is sourced from PubChem (CID 10727803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).