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

C6H15N3O2S2 — CID 61454017

IUPAC2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide
SMILESCC(C)N(C)S(=O)(=O)NCC(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-5(2)9(3)13(10,11)8-4-6(7)12/h5,8H,4H2,1-3H3,(H2,7,12)
InChIKeyIBXPPALOAIPKBJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.55
Rot. Bonds5

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

2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide (PubChem CID 61454017) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide.

Molecular Properties

Compound Name2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide
PubChem CID61454017
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC Name2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide
SMILESCC(C)N(C)S(=O)(=O)NCC(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-5(2)9(3)13(10,11)8-4-6(7)12/h5,8H,4H2,1-3H3,(H2,7,12)
InChIKeyIBXPPALOAIPKBJ-UHFFFAOYSA-N
XLogP-0.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.55
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]ethanethioamide?
The IUPAC name of 2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide (CID 61454017) is 2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide.
What is the SMILES notation for 2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide?
The canonical SMILES for 2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide is CC(C)N(C)S(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide?
The InChIKey is IBXPPALOAIPKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c1-5(2)9(3)13(10,11)8-4-6(7)12/h5,8H,4H2,1-3H3,(H2,7,12).
What are the key properties of 2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide?
2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide has a molecular weight of 225.34 g/mol, XLogP of -0.55, 5 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]ethanethioamide is sourced from PubChem (CID 61454017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).