(3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide

C11H25NO3S — CID 137468905

IUPAC(3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide
SMILESCC(CCCO)[C@@H](C)[C@H](C)C(C)S(N)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-8(6-5-7-13)9(2)10(3)11(4)16(12,14)15/h8-11,13H,5-7H2,1-4H3,(H2,12,14,15)/t8?,9-,10+,11?/m1/s1
InChIKeyJJYRKAGEMBFARZ-WIFZPCQCSA-N
MW251.39 g/mol
LogP1.34
Rot. Bonds7

About (3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide

(3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide (PubChem CID 137468905) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is (3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide
PubChem CID137468905
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name(3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide
SMILESCC(CCCO)[C@@H](C)[C@H](C)C(C)S(N)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-8(6-5-7-13)9(2)10(3)11(4)16(12,14)15/h8-11,13H,5-7H2,1-4H3,(H2,12,14,15)/t8?,9-,10+,11?/m1/s1
InChIKeyJJYRKAGEMBFARZ-WIFZPCQCSA-N
XLogP1.34
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 87272618
10,11-dimethyldodecan-1-ol
CID 174615495
1-hydroxy-4-(sulfamoylamino)pentane
CID 112698307
(4S,5S)-4-methylhexane-1,5-diol
CID 124511959
heptane-1,7-diol;sulfamic acid
CID 174999895
4-aminononane-1,9-diol
CID 54004768
azane;6-methylheptan-1-ol;sulfuric acid
CID 174550383
5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
CID 166665239
(2S,3R,5R)-5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
CID 130367620
(2R,3R,5R)-5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
CID 130367538
1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
CID 112689196
3-amino-6-hydroxyhexane-1-sulfonic acid
CID 54526006

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide?
The IUPAC name of (3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide (CID 137468905) is (3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide.
What is the SMILES notation for (3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide?
The canonical SMILES for (3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide is CC(CCCO)[C@@H](C)[C@H](C)C(C)S(N)(=O)=O.
What is the InChIKey of (3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide?
The InChIKey is JJYRKAGEMBFARZ-WIFZPCQCSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-8(6-5-7-13)9(2)10(3)11(4)16(12,14)15/h8-11,13H,5-7H2,1-4H3,(H2,12,14,15)/t8?,9-,10+,11?/m1/s1.
What are the key properties of (3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide?
(3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide is sourced from PubChem (CID 137468905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).