1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea

C6H15N3O2S2 — CID 106335688

IUPAC1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea
SMILESCNC(=S)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C6H15N3O2S2/c1-7-6(12)8-4-5-13(10,11)9(2)3/h4-5H2,1-3H3,(H2,7,8,12)
InChIKeyCAYMYTJKWBKNBW-UHFFFAOYSA-N
MW225.34 g/mol
LogP-1.03
Rot. Bonds4

About 1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea

1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea (PubChem CID 106335688) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea
PubChem CID106335688
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC Name1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea
SMILESCNC(=S)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C6H15N3O2S2/c1-7-6(12)8-4-5-13(10,11)9(2)3/h4-5H2,1-3H3,(H2,7,8,12)
InChIKeyCAYMYTJKWBKNBW-UHFFFAOYSA-N
XLogP-1.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methylcarbamothioylamino)propane-1-sulfonic acid
CID 121342410
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106335493
2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106338828
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide
CID 106338832
4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid
CID 106334792
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
CID 106337551
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106335483
1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 106338824
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106337531
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
CID 114175289

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea?
The IUPAC name of 1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea (CID 106335688) is 1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea.
What is the SMILES notation for 1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea?
The canonical SMILES for 1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea is CNC(=S)NCCS(=O)(=O)N(C)C.
What is the InChIKey of 1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea?
The InChIKey is CAYMYTJKWBKNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c1-7-6(12)8-4-5-13(10,11)9(2)3/h4-5H2,1-3H3,(H2,7,8,12).
What are the key properties of 1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea?
1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea has a molecular weight of 225.34 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea is sourced from PubChem (CID 106335688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).