1-(hydroxysulfonothioylamino)-5-methylhexane

C7H17NO2S2 — CID 155224802

IUPAC1-(hydroxysulfonothioylamino)-5-methylhexane
SMILESCC(C)CCCCNS(=O)(O)=S
InChIInChI=1S/C7H17NO2S2/c1-7(2)5-3-4-6-8-12(9,10)11/h7-8H,3-6H2,1-2H3,(H,9,10,11)
InChIKeyGHGFIPJVAIGIHA-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.54
Rot. Bonds6

About 1-(hydroxysulfonothioylamino)-5-methylhexane

1-(hydroxysulfonothioylamino)-5-methylhexane (PubChem CID 155224802) has the molecular formula C7H17NO2S2 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(hydroxysulfonothioylamino)-5-methylhexane.

Molecular Properties

Compound Name1-(hydroxysulfonothioylamino)-5-methylhexane
PubChem CID155224802
Molecular FormulaC7H17NO2S2
Molecular Weight211.35 g/mol
Exact Mass211.07
IUPAC Name1-(hydroxysulfonothioylamino)-5-methylhexane
SMILESCC(C)CCCCNS(=O)(O)=S
InChIInChI=1S/C7H17NO2S2/c1-7(2)5-3-4-6-8-12(9,10)11/h7-8H,3-6H2,1-2H3,(H,9,10,11)
InChIKeyGHGFIPJVAIGIHA-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(hydroxysulfonothioylamino)-5-methylhexane?
The IUPAC name of 1-(hydroxysulfonothioylamino)-5-methylhexane (CID 155224802) is 1-(hydroxysulfonothioylamino)-5-methylhexane.
What is the SMILES notation for 1-(hydroxysulfonothioylamino)-5-methylhexane?
The canonical SMILES for 1-(hydroxysulfonothioylamino)-5-methylhexane is CC(C)CCCCNS(=O)(O)=S.
What is the InChIKey of 1-(hydroxysulfonothioylamino)-5-methylhexane?
The InChIKey is GHGFIPJVAIGIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S2/c1-7(2)5-3-4-6-8-12(9,10)11/h7-8H,3-6H2,1-2H3,(H,9,10,11).
What are the key properties of 1-(hydroxysulfonothioylamino)-5-methylhexane?
1-(hydroxysulfonothioylamino)-5-methylhexane has a molecular weight of 211.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxysulfonothioylamino)-5-methylhexane is sourced from PubChem (CID 155224802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).