2-methyl-2-(methylsulfamoylamino)propanethioamide

C5H13N3O2S2 — CID 114808109

IUPAC2-methyl-2-(methylsulfamoylamino)propanethioamide
SMILESCNS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C5H13N3O2S2/c1-5(2,4(6)11)8-12(9,10)7-3/h7-8H,1-3H3,(H2,6,11)
InChIKeyHCTVHAISWJTLJR-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.90
Rot. Bonds4

About 2-methyl-2-(methylsulfamoylamino)propanethioamide

2-methyl-2-(methylsulfamoylamino)propanethioamide (PubChem CID 114808109) has the molecular formula C5H13N3O2S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-2-(methylsulfamoylamino)propanethioamide.

Molecular Properties

Compound Name2-methyl-2-(methylsulfamoylamino)propanethioamide
PubChem CID114808109
Molecular FormulaC5H13N3O2S2
Molecular Weight211.31 g/mol
Exact Mass211.04
IUPAC Name2-methyl-2-(methylsulfamoylamino)propanethioamide
SMILESCNS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C5H13N3O2S2/c1-5(2,4(6)11)8-12(9,10)7-3/h7-8H,1-3H3,(H2,6,11)
InChIKeyHCTVHAISWJTLJR-UHFFFAOYSA-N
XLogP-0.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.90
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

2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808107
2-(Dimethylsulfamoylamino)-2-methylpropanethioamide
CID 61119259
2-(Methanesulfonamido)-2-methylpropanethioamide
CID 61119449
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-Methyl-2-(propylsulfamoylamino)propanethioamide
CID 114808110
2-Methyl-2-(propan-2-ylsulfamoylamino)propanethioamide
CID 114808111
2-(Tert-butylsulfamoylamino)-2-methylpropanethioamide
CID 114808112
2-(Cyclopropylsulfamoylamino)-2-methylpropanethioamide
CID 114808113

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylsulfamoylamino)propanethioamide?
The IUPAC name of 2-methyl-2-(methylsulfamoylamino)propanethioamide (CID 114808109) is 2-methyl-2-(methylsulfamoylamino)propanethioamide.
What is the SMILES notation for 2-methyl-2-(methylsulfamoylamino)propanethioamide?
The canonical SMILES for 2-methyl-2-(methylsulfamoylamino)propanethioamide is CNS(=O)(=O)NC(C)(C)C(N)=S.
What is the InChIKey of 2-methyl-2-(methylsulfamoylamino)propanethioamide?
The InChIKey is HCTVHAISWJTLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S2/c1-5(2,4(6)11)8-12(9,10)7-3/h7-8H,1-3H3,(H2,6,11).
What are the key properties of 2-methyl-2-(methylsulfamoylamino)propanethioamide?
2-methyl-2-(methylsulfamoylamino)propanethioamide has a molecular weight of 211.31 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylsulfamoylamino)propanethioamide is sourced from PubChem (CID 114808109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).