2-methyl-2-(methylsulfamoylamino)butanethioamide

C6H15N3O2S2 — CID 114808164

IUPAC2-methyl-2-(methylsulfamoylamino)butanethioamide
SMILESCCC(C)(NS(=O)(=O)NC)C(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-4-6(2,5(7)12)9-13(10,11)8-3/h8-9H,4H2,1-3H3,(H2,7,12)
InChIKeyBNOAGRMQABPEER-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.50
Rot. Bonds5

About 2-methyl-2-(methylsulfamoylamino)butanethioamide

2-methyl-2-(methylsulfamoylamino)butanethioamide (PubChem CID 114808164) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-2-(methylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name2-methyl-2-(methylsulfamoylamino)butanethioamide
PubChem CID114808164
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC Name2-methyl-2-(methylsulfamoylamino)butanethioamide
SMILESCCC(C)(NS(=O)(=O)NC)C(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-4-6(2,5(7)12)9-13(10,11)8-3/h8-9H,4H2,1-3H3,(H2,7,12)
InChIKeyBNOAGRMQABPEER-UHFFFAOYSA-N
XLogP-0.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.50
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)butanethioamide
CID 113637077
2-(Dimethylsulfamoylamino)-2-methylpropanethioamide
CID 61119259
2-(Dimethylsulfamoylamino)-2-methylbutanethioamide
CID 61123094
2-(Methanesulfonamido)-2-methylbutanethioamide
CID 61124476
2-(Tert-butylsulfamoylamino)ethanethioamide
CID 114808105
2-(Ethylsulfamoylamino)-2-methylpropanethioamide
CID 114808108
2-Methyl-2-(methylsulfamoylamino)propanethioamide
CID 114808109
2-Methyl-2-(propylsulfamoylamino)propanethioamide
CID 114808110
2-Methyl-2-(propan-2-ylsulfamoylamino)propanethioamide
CID 114808111
2-(Tert-butylsulfamoylamino)propanethioamide
CID 114808119
2-(Ethylsulfamoylamino)butanethioamide
CID 114808122
2-(Methylsulfamoylamino)butanethioamide
CID 114808123

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylsulfamoylamino)butanethioamide?
The IUPAC name of 2-methyl-2-(methylsulfamoylamino)butanethioamide (CID 114808164) is 2-methyl-2-(methylsulfamoylamino)butanethioamide.
What is the SMILES notation for 2-methyl-2-(methylsulfamoylamino)butanethioamide?
The canonical SMILES for 2-methyl-2-(methylsulfamoylamino)butanethioamide is CCC(C)(NS(=O)(=O)NC)C(N)=S.
What is the InChIKey of 2-methyl-2-(methylsulfamoylamino)butanethioamide?
The InChIKey is BNOAGRMQABPEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c1-4-6(2,5(7)12)9-13(10,11)8-3/h8-9H,4H2,1-3H3,(H2,7,12).
What are the key properties of 2-methyl-2-(methylsulfamoylamino)butanethioamide?
2-methyl-2-(methylsulfamoylamino)butanethioamide has a molecular weight of 225.34 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylsulfamoylamino)butanethioamide is sourced from PubChem (CID 114808164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).