3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide

C9H21N3O2S2 — CID 62652373

IUPAC3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
SMILESCCC(CC(N)=S)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H21N3O2S2/c1-5-8(6-9(10)15)11-16(13,14)12(4)7(2)3/h7-8,11H,5-6H2,1-4H3,(H2,10,15)
InChIKeyLHANUSHGUJXRKT-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.62
Rot. Bonds7

About 3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide

3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide (PubChem CID 62652373) has the molecular formula C9H21N3O2S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide.

Molecular Properties

Compound Name3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
PubChem CID62652373
Molecular FormulaC9H21N3O2S2
Molecular Weight267.42 g/mol
Exact Mass267.11
IUPAC Name3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
SMILESCCC(CC(N)=S)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H21N3O2S2/c1-5-8(6-9(10)15)11-16(13,14)12(4)7(2)3/h7-8,11H,5-6H2,1-4H3,(H2,10,15)
InChIKeyLHANUSHGUJXRKT-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide?
The IUPAC name of 3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide (CID 62652373) is 3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide.
What is the SMILES notation for 3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide?
The canonical SMILES for 3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide is CCC(CC(N)=S)NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of 3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide?
The InChIKey is LHANUSHGUJXRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S2/c1-5-8(6-9(10)15)11-16(13,14)12(4)7(2)3/h7-8,11H,5-6H2,1-4H3,(H2,10,15).
What are the key properties of 3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide?
3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide has a molecular weight of 267.42 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide is sourced from PubChem (CID 62652373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).