N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide

C5H13N3O4S3 — CID 119096682

IUPACN-methyl-2,2-bis(methylsulfamoyl)ethanethioamide
SMILESCNC(=S)C(S(=O)(=O)NC)S(=O)(=O)NC
InChIInChI=1S/C5H13N3O4S3/c1-6-4(13)5(14(9,10)7-2)15(11,12)8-3/h5,7-8H,1-3H3,(H,6,13)
InChIKeyQWVIDRYGXOIIJK-UHFFFAOYSA-N
MW275.38 g/mol
LogP-2.04
Rot. Bonds5

About N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide

N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide (PubChem CID 119096682) has the molecular formula C5H13N3O4S3 and a molecular weight of 275.38 g/mol. Its IUPAC name is N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide.

Molecular Properties

Compound NameN-methyl-2,2-bis(methylsulfamoyl)ethanethioamide
PubChem CID119096682
Molecular FormulaC5H13N3O4S3
Molecular Weight275.38 g/mol
Exact Mass275.01
IUPAC NameN-methyl-2,2-bis(methylsulfamoyl)ethanethioamide
SMILESCNC(=S)C(S(=O)(=O)NC)S(=O)(=O)NC
InChIInChI=1S/C5H13N3O4S3/c1-6-4(13)5(14(9,10)7-2)15(11,12)8-3/h5,7-8H,1-3H3,(H,6,13)
InChIKeyQWVIDRYGXOIIJK-UHFFFAOYSA-N
XLogP-2.04
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methylthiourea;sulfuric acid
CID 22711292
1-iodo-N-methylethanesulfonamide
CID 137491728
methyl 2-(methylsulfamoyl)propanoate
CID 61458435
azane;methylsulfamic acid
CID 173138884
chloroform;methanesulfonic acid
CID 158495186
2-(methylsulfamoyl)-3-sulfanylpropanoic acid
CID 88840166
N-methylpropane-2-sulfonothioamide
CID 167163905
3-(methylcarbamothioylamino)propane-1-sulfonic acid
CID 121342410
1,3-dimethylurea
CID 163366790
methanesulfonic acid;yttrium;hydrofluoride
CID 174922283
1,3-dimethylurea
CID 7293
methanesulfonic acid;sulfur monoxide
CID 174707848

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide?
The IUPAC name of N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide (CID 119096682) is N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide.
What is the SMILES notation for N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide?
The canonical SMILES for N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide is CNC(=S)C(S(=O)(=O)NC)S(=O)(=O)NC.
What is the InChIKey of N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide?
The InChIKey is QWVIDRYGXOIIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O4S3/c1-6-4(13)5(14(9,10)7-2)15(11,12)8-3/h5,7-8H,1-3H3,(H,6,13).
What are the key properties of N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide?
N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide has a molecular weight of 275.38 g/mol, XLogP of -2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,2-bis(methylsulfamoyl)ethanethioamide is sourced from PubChem (CID 119096682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).