(2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol

C11H24N2O6S — CID 122190238

IUPAC(2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol
SMILESCCCCCCNS(=O)(=O)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H24N2O6S/c1-2-3-4-5-6-12-20(17,18)13-11-10(16)9(15)8(14)7-19-11/h8-16H,2-7H2,1H3/t8-,9-,10+,11+/m1/s1
InChIKeyTVDMFLMVSZNGQT-ZNSHCXBVSA-N
MW312.39 g/mol
LogP-1.57
Rot. Bonds8

About (2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol

(2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol (PubChem CID 122190238) has the molecular formula C11H24N2O6S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol
PubChem CID122190238
Molecular FormulaC11H24N2O6S
Molecular Weight312.39 g/mol
Exact Mass312.14
IUPAC Name(2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol
SMILESCCCCCCNS(=O)(=O)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H24N2O6S/c1-2-3-4-5-6-12-20(17,18)13-11-10(16)9(15)8(14)7-19-11/h8-16H,2-7H2,1H3/t8-,9-,10+,11+/m1/s1
InChIKeyTVDMFLMVSZNGQT-ZNSHCXBVSA-N
XLogP-1.57
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-1.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol (CID 122190238) is (2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol is CCCCCCNS(=O)(=O)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol?
The InChIKey is TVDMFLMVSZNGQT-ZNSHCXBVSA-N. The full InChI is InChI=1S/C11H24N2O6S/c1-2-3-4-5-6-12-20(17,18)13-11-10(16)9(15)8(14)7-19-11/h8-16H,2-7H2,1H3/t8-,9-,10+,11+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol?
(2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol has a molecular weight of 312.39 g/mol, XLogP of -1.57, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-(hexylsulfamoylamino)oxane-3,4,5-triol is sourced from PubChem (CID 122190238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).