1-amino-3-(2-methylsulfonylethyl)thiourea

C4H11N3O2S2 — CID 60919271

IUPAC1-amino-3-(2-methylsulfonylethyl)thiourea
SMILESCS(=O)(=O)CCNC(=S)NN
InChIInChI=1S/C4H11N3O2S2/c1-11(8,9)3-2-6-4(10)7-5/h2-3,5H2,1H3,(H2,6,7,10)
InChIKeyJQFNWSBOAPHMPD-UHFFFAOYSA-N
MW197.28 g/mol
LogP-1.63
Rot. Bonds3

About 1-amino-3-(2-methylsulfonylethyl)thiourea

1-amino-3-(2-methylsulfonylethyl)thiourea (PubChem CID 60919271) has the molecular formula C4H11N3O2S2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-amino-3-(2-methylsulfonylethyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-methylsulfonylethyl)thiourea
PubChem CID60919271
Molecular FormulaC4H11N3O2S2
Molecular Weight197.28 g/mol
Exact Mass197.03
IUPAC Name1-amino-3-(2-methylsulfonylethyl)thiourea
SMILESCS(=O)(=O)CCNC(=S)NN
InChIInChI=1S/C4H11N3O2S2/c1-11(8,9)3-2-6-4(10)7-5/h2-3,5H2,1H3,(H2,6,7,10)
InChIKeyJQFNWSBOAPHMPD-UHFFFAOYSA-N
XLogP-1.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-amino-3-(2-methylsulfonylethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-1-[2-(methylsulfanyl)ethyl]thiourea
CID 20526581
Sodium 1-amino-3-(2-sulfinatoethyl)thiourea
CID 18341744
Sodium 2-(aminocarbamothioylamino)ethanesulfinate
CID 23394740
Sodium (2-sulfoethylcarbamothioylamino)azanide
CID 139653020
Sodium 2-(aminocarbamothioylamino)ethanesulfonate
CID 158430165
2-(Aminocarbamothioylamino)ethanesulfinate
CID 18341745
2-(Aminocarbamothioylamino)ethanesulfinic acid
CID 23394741
1-Amino-3-(2-sulfamoylethyl)thiourea
CID 43552458
2-Methylsulfonylethylthiourea
CID 60919048
1-Amino-3-(3-methylsulfonylpropyl)thiourea
CID 61808004
1-Amino-3-(3-sulfamoylpropyl)thiourea
CID 61883254
1-Amino-3-(1-methylsulfonylpropan-2-yl)thiourea
CID 64643033

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylsulfonylethyl)thiourea?
The IUPAC name of 1-amino-3-(2-methylsulfonylethyl)thiourea (CID 60919271) is 1-amino-3-(2-methylsulfonylethyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-methylsulfonylethyl)thiourea?
The canonical SMILES for 1-amino-3-(2-methylsulfonylethyl)thiourea is CS(=O)(=O)CCNC(=S)NN.
What is the InChIKey of 1-amino-3-(2-methylsulfonylethyl)thiourea?
The InChIKey is JQFNWSBOAPHMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2S2/c1-11(8,9)3-2-6-4(10)7-5/h2-3,5H2,1H3,(H2,6,7,10).
What are the key properties of 1-amino-3-(2-methylsulfonylethyl)thiourea?
1-amino-3-(2-methylsulfonylethyl)thiourea has a molecular weight of 197.28 g/mol, XLogP of -1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylsulfonylethyl)thiourea is sourced from PubChem (CID 60919271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).