2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane

C8H20N2O3S — CID 111450153

IUPAC2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane
SMILESCC(C)CCC(C)(O)CNS(N)(=O)=O
InChIInChI=1S/C8H20N2O3S/c1-7(2)4-5-8(3,11)6-10-14(9,12)13/h7,10-11H,4-6H2,1-3H3,(H2,9,12,13)
InChIKeyCYIJVEBUIDIMAD-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.03
Rot. Bonds6

About 2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane

2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane (PubChem CID 111450153) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane.

Molecular Properties

Compound Name2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane
PubChem CID111450153
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane
SMILESCC(C)CCC(C)(O)CNS(N)(=O)=O
InChIInChI=1S/C8H20N2O3S/c1-7(2)4-5-8(3,11)6-10-14(9,12)13/h7,10-11H,4-6H2,1-3H3,(H2,9,12,13)
InChIKeyCYIJVEBUIDIMAD-UHFFFAOYSA-N
XLogP-0.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,8-trimethylnonan-5-ol
CID 58574498
5-fluoro-N-[(2R)-2-hydroxy-2,5-dimethylhexyl]pyridine-3-sulfonamide
CID 97325983
N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide
CID 66178801
2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol
CID 83168520
4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide
CID 111485192
2-hydroxy-2,5-dimethylhexanamide
CID 62224009
ethyl 3-hydroxy-3,6-dimethylheptanoate
CID 62395041
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
2-methyl-1-(methylsulfamoylamino)pentan-2-ol
CID 106290478
1-(2-hydroxy-2,5-dimethylhexyl)-3-(1-methylsulfanylpropan-2-yl)urea
CID 111455658
3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
CID 103844834
N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66178797

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane?
The IUPAC name of 2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane (CID 111450153) is 2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane.
What is the SMILES notation for 2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane?
The canonical SMILES for 2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane is CC(C)CCC(C)(O)CNS(N)(=O)=O.
What is the InChIKey of 2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane?
The InChIKey is CYIJVEBUIDIMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-7(2)4-5-8(3,11)6-10-14(9,12)13/h7,10-11H,4-6H2,1-3H3,(H2,9,12,13).
What are the key properties of 2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane?
2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane has a molecular weight of 224.33 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,5-dimethyl-1-(sulfamoylamino)hexane is sourced from PubChem (CID 111450153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).