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

C9H21N3O2S2 — CID 61454058

IUPAC2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
SMILESCCCC(NS(=O)(=O)N(C)C(C)C)C(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-5-6-8(9(10)15)11-16(13,14)12(4)7(2)3/h7-8,11H,5-6H2,1-4H3,(H2,10,15)
InChIKeyUSDSPUNUFXWPIM-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.62
Rot. Bonds7

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

2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide (PubChem CID 61454058) has the molecular formula C9H21N3O2S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide.

Molecular Properties

Compound Name2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
PubChem CID61454058
Molecular FormulaC9H21N3O2S2
Molecular Weight267.42 g/mol
Exact Mass267.11
IUPAC Name2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
SMILESCCCC(NS(=O)(=O)N(C)C(C)C)C(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-5-6-8(9(10)15)11-16(13,14)12(4)7(2)3/h7-8,11H,5-6H2,1-4H3,(H2,10,15)
InChIKeyUSDSPUNUFXWPIM-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 2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide?
The IUPAC name of 2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide (CID 61454058) is 2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide.
What is the SMILES notation for 2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide?
The canonical SMILES for 2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide is CCCC(NS(=O)(=O)N(C)C(C)C)C(N)=S.
What is the InChIKey of 2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide?
The InChIKey is USDSPUNUFXWPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S2/c1-5-6-8(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 2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide?
2-[[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 2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide is sourced from PubChem (CID 61454058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).