1-amino-3-(2,2-dimethylpropyl)thiourea

C6H15N3S — CID 2798089

IUPAC1-amino-3-(2,2-dimethylpropyl)thiourea
SMILESCC(C)(C)CNC(=S)NN
InChIInChI=1S/C6H15N3S/c1-6(2,3)4-8-5(10)9-7/h4,7H2,1-3H3,(H2,8,9,10)
InChIKeySWMVYBRGKHIYCJ-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.37
Rot. Bonds1

About 1-amino-3-(2,2-dimethylpropyl)thiourea

1-amino-3-(2,2-dimethylpropyl)thiourea (PubChem CID 2798089) has the molecular formula C6H15N3S and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-amino-3-(2,2-dimethylpropyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2,2-dimethylpropyl)thiourea
PubChem CID2798089
Molecular FormulaC6H15N3S
Molecular Weight161.27 g/mol
Exact Mass161.10
IUPAC Name1-amino-3-(2,2-dimethylpropyl)thiourea
SMILESCC(C)(C)CNC(=S)NN
InChIInChI=1S/C6H15N3S/c1-6(2,3)4-8-5(10)9-7/h4,7H2,1-3H3,(H2,8,9,10)
InChIKeySWMVYBRGKHIYCJ-UHFFFAOYSA-N
XLogP0.37
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(2,2-dimethylpropyl)thiourea?
The IUPAC name of 1-amino-3-(2,2-dimethylpropyl)thiourea (CID 2798089) is 1-amino-3-(2,2-dimethylpropyl)thiourea.
What is the SMILES notation for 1-amino-3-(2,2-dimethylpropyl)thiourea?
The canonical SMILES for 1-amino-3-(2,2-dimethylpropyl)thiourea is CC(C)(C)CNC(=S)NN.
What is the InChIKey of 1-amino-3-(2,2-dimethylpropyl)thiourea?
The InChIKey is SWMVYBRGKHIYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3S/c1-6(2,3)4-8-5(10)9-7/h4,7H2,1-3H3,(H2,8,9,10).
What are the key properties of 1-amino-3-(2,2-dimethylpropyl)thiourea?
1-amino-3-(2,2-dimethylpropyl)thiourea has a molecular weight of 161.27 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,2-dimethylpropyl)thiourea is sourced from PubChem (CID 2798089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).