3-(sulfonylamino)hexan-1-ol

C6H13NO3S — CID 171478124

IUPAC3-(sulfonylamino)hexan-1-ol
SMILESCCCC(CCO)N=S(=O)=O
InChIInChI=1S/C6H13NO3S/c1-2-3-6(4-5-8)7-11(9)10/h6,8H,2-5H2,1H3
InChIKeyKWARNZVIIIQCDP-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.60
Rot. Bonds5

About 3-(sulfonylamino)hexan-1-ol

3-(sulfonylamino)hexan-1-ol (PubChem CID 171478124) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-(sulfonylamino)hexan-1-ol.

Molecular Properties

Compound Name3-(sulfonylamino)hexan-1-ol
PubChem CID171478124
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name3-(sulfonylamino)hexan-1-ol
SMILESCCCC(CCO)N=S(=O)=O
InChIInChI=1S/C6H13NO3S/c1-2-3-6(4-5-8)7-11(9)10/h6,8H,2-5H2,1H3
InChIKeyKWARNZVIIIQCDP-UHFFFAOYSA-N
XLogP0.60
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;hydride;methylsulfinylmethanol
CID 173447451
ethane;3-propylhexan-1-ol
CID 142096808
ethane-1,2-diol;methylsulfinylmethane
CID 18757553
N-(1-hydroxypentan-3-yl)methanesulfinamide
CID 127006197
hexane-1,3-diol;hydrochloride
CID 141150111
tetrakis(hexane-1,3-diol);titanium
CID 173060887
octane-1,3,4,5-tetrol
CID 18506400
potassium;hydride;2-methylpentanal
CID 173401246
4-isocyanatoheptane
CID 22102269
1-methylsulfinyl-1-(1-methylsulfinylbutyldisulfanyl)butane
CID 101497890
sodium;propan-1-ol;nitrite
CID 174896587
4-heptan-4-ylsulfinylheptane
CID 90471360

Frequently Asked Questions

What is the IUPAC name of 3-(sulfonylamino)hexan-1-ol?
The IUPAC name of 3-(sulfonylamino)hexan-1-ol (CID 171478124) is 3-(sulfonylamino)hexan-1-ol.
What is the SMILES notation for 3-(sulfonylamino)hexan-1-ol?
The canonical SMILES for 3-(sulfonylamino)hexan-1-ol is CCCC(CCO)N=S(=O)=O.
What is the InChIKey of 3-(sulfonylamino)hexan-1-ol?
The InChIKey is KWARNZVIIIQCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-3-6(4-5-8)7-11(9)10/h6,8H,2-5H2,1H3.
What are the key properties of 3-(sulfonylamino)hexan-1-ol?
3-(sulfonylamino)hexan-1-ol has a molecular weight of 179.24 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfonylamino)hexan-1-ol is sourced from PubChem (CID 171478124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).