2-(5-methylhexylsulfamoyl)propanethioamide

C10H22N2O2S2 — CID 115325716

IUPAC2-(5-methylhexylsulfamoyl)propanethioamide
SMILESCC(C)CCCCNS(=O)(=O)C(C)C(N)=S
InChIInChI=1S/C10H22N2O2S2/c1-8(2)6-4-5-7-12-16(13,14)9(3)10(11)15/h8-9,12H,4-7H2,1-3H3,(H2,11,15)
InChIKeyHQFSRPBOQFNWFG-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.41
Rot. Bonds8

About 2-(5-methylhexylsulfamoyl)propanethioamide

2-(5-methylhexylsulfamoyl)propanethioamide (PubChem CID 115325716) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(5-methylhexylsulfamoyl)propanethioamide.

Molecular Properties

Compound Name2-(5-methylhexylsulfamoyl)propanethioamide
PubChem CID115325716
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC Name2-(5-methylhexylsulfamoyl)propanethioamide
SMILESCC(C)CCCCNS(=O)(=O)C(C)C(N)=S
InChIInChI=1S/C10H22N2O2S2/c1-8(2)6-4-5-7-12-16(13,14)9(3)10(11)15/h8-9,12H,4-7H2,1-3H3,(H2,11,15)
InChIKeyHQFSRPBOQFNWFG-UHFFFAOYSA-N
XLogP1.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexylsulfamoyl)propanethioamide?
The IUPAC name of 2-(5-methylhexylsulfamoyl)propanethioamide (CID 115325716) is 2-(5-methylhexylsulfamoyl)propanethioamide.
What is the SMILES notation for 2-(5-methylhexylsulfamoyl)propanethioamide?
The canonical SMILES for 2-(5-methylhexylsulfamoyl)propanethioamide is CC(C)CCCCNS(=O)(=O)C(C)C(N)=S.
What is the InChIKey of 2-(5-methylhexylsulfamoyl)propanethioamide?
The InChIKey is HQFSRPBOQFNWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-8(2)6-4-5-7-12-16(13,14)9(3)10(11)15/h8-9,12H,4-7H2,1-3H3,(H2,11,15).
What are the key properties of 2-(5-methylhexylsulfamoyl)propanethioamide?
2-(5-methylhexylsulfamoyl)propanethioamide has a molecular weight of 266.43 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexylsulfamoyl)propanethioamide is sourced from PubChem (CID 115325716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).