1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea

C5H13N3O2S2 — CID 64643033

IUPAC1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea
SMILESCC(CS(C)(=O)=O)NC(=S)NN
InChIInChI=1S/C5H13N3O2S2/c1-4(3-12(2,9)10)7-5(11)8-6/h4H,3,6H2,1-2H3,(H2,7,8,11)
InChIKeyREIPYZOOLCKZTL-UHFFFAOYSA-N
MW211.31 g/mol
LogP-1.24
Rot. Bonds3

About 1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea

1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea (PubChem CID 64643033) has the molecular formula C5H13N3O2S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea
PubChem CID64643033
Molecular FormulaC5H13N3O2S2
Molecular Weight211.31 g/mol
Exact Mass211.04
IUPAC Name1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea
SMILESCC(CS(C)(=O)=O)NC(=S)NN
InChIInChI=1S/C5H13N3O2S2/c1-4(3-12(2,9)10)7-5(11)8-6/h4H,3,6H2,1-2H3,(H2,7,8,11)
InChIKeyREIPYZOOLCKZTL-UHFFFAOYSA-N
XLogP-1.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-1.24
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea?
The IUPAC name of 1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea (CID 64643033) is 1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea.
What is the SMILES notation for 1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea?
The canonical SMILES for 1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea is CC(CS(C)(=O)=O)NC(=S)NN.
What is the InChIKey of 1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea?
The InChIKey is REIPYZOOLCKZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S2/c1-4(3-12(2,9)10)7-5(11)8-6/h4H,3,6H2,1-2H3,(H2,7,8,11).
What are the key properties of 1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea?
1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea has a molecular weight of 211.31 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methylsulfonylpropan-2-yl)thiourea is sourced from PubChem (CID 64643033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).