2-(methylsulfamoylamino)ethanethioamide

C3H9N3O2S2 — CID 114808102

IUPAC2-(methylsulfamoylamino)ethanethioamide
SMILESCNS(=O)(=O)NCC(N)=S
InChIInChI=1S/C3H9N3O2S2/c1-5-10(7,8)6-2-3(4)9/h5-6H,2H2,1H3,(H2,4,9)
InChIKeyJWNHUBGITJVGCE-UHFFFAOYSA-N
MW183.26 g/mol
LogP-1.67
Rot. Bonds4

About 2-(methylsulfamoylamino)ethanethioamide

2-(methylsulfamoylamino)ethanethioamide (PubChem CID 114808102) has the molecular formula C3H9N3O2S2 and a molecular weight of 183.26 g/mol. Its IUPAC name is 2-(methylsulfamoylamino)ethanethioamide.

Molecular Properties

Compound Name2-(methylsulfamoylamino)ethanethioamide
PubChem CID114808102
Molecular FormulaC3H9N3O2S2
Molecular Weight183.26 g/mol
Exact Mass183.01
IUPAC Name2-(methylsulfamoylamino)ethanethioamide
SMILESCNS(=O)(=O)NCC(N)=S
InChIInChI=1S/C3H9N3O2S2/c1-5-10(7,8)6-2-3(4)9/h5-6H,2H2,1H3,(H2,4,9)
InChIKeyJWNHUBGITJVGCE-UHFFFAOYSA-N
XLogP-1.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-1-sulfanylidene-2-(sulfinatoamino)ethane
CID 174385508
2-(Methanesulfonamido)ethanethioamide
CID 61127309
2-(Diethylsulfamoylamino)ethanethioamide
CID 61127693
2-(Dimethylsulfamoylamino)ethanethioamide
CID 61127695
2-(Ethylsulfamoylamino)ethanethioamide
CID 114808101
2-(Propylsulfamoylamino)ethanethioamide
CID 114808103
2-(Propan-2-ylsulfamoylamino)ethanethioamide
CID 114808104
2-(Tert-butylsulfamoylamino)ethanethioamide
CID 114808105
2-(Ethylsulfamoylamino)-2-methylpropanethioamide
CID 114808108
2-(Ethylsulfamoylamino)propanethioamide
CID 114808115
2-(Methylsulfamoylamino)propanethioamide
CID 114808116
2-(Propylsulfamoylamino)propanethioamide
CID 114808117

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfamoylamino)ethanethioamide?
The IUPAC name of 2-(methylsulfamoylamino)ethanethioamide (CID 114808102) is 2-(methylsulfamoylamino)ethanethioamide.
What is the SMILES notation for 2-(methylsulfamoylamino)ethanethioamide?
The canonical SMILES for 2-(methylsulfamoylamino)ethanethioamide is CNS(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-(methylsulfamoylamino)ethanethioamide?
The InChIKey is JWNHUBGITJVGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2S2/c1-5-10(7,8)6-2-3(4)9/h5-6H,2H2,1H3,(H2,4,9).
What are the key properties of 2-(methylsulfamoylamino)ethanethioamide?
2-(methylsulfamoylamino)ethanethioamide has a molecular weight of 183.26 g/mol, XLogP of -1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfamoylamino)ethanethioamide is sourced from PubChem (CID 114808102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).