[(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea

C6H13N3O3S2 — CID 65214617

IUPAC[(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea
SMILESCC(C)(C(=O)NNC(N)=S)S(C)(=O)=O
InChIInChI=1S/C6H13N3O3S2/c1-6(2,14(3,11)12)4(10)8-9-5(7)13/h1-3H3,(H,8,10)(H3,7,9,13)
InChIKeyAWXXDXNYVFYANL-UHFFFAOYSA-N
MW239.32 g/mol
LogP-1.33
Rot. Bonds2

About [(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea

[(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea (PubChem CID 65214617) has the molecular formula C6H13N3O3S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea.

Molecular Properties

Compound Name[(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea
PubChem CID65214617
Molecular FormulaC6H13N3O3S2
Molecular Weight239.32 g/mol
Exact Mass239.04
IUPAC Name[(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea
SMILESCC(C)(C(=O)NNC(N)=S)S(C)(=O)=O
InChIInChI=1S/C6H13N3O3S2/c1-6(2,14(3,11)12)4(10)8-9-5(7)13/h1-3H3,(H,8,10)(H3,7,9,13)
InChIKeyAWXXDXNYVFYANL-UHFFFAOYSA-N
XLogP-1.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2-methyl-2-methylsulfonylpropanoyl)amino]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

N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide
CID 79676240
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide
CID 107845591
N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide
CID 114383819
N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide
CID 115364914
(2R)-3-hydroxy-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]propanoic acid
CID 80750513
N-(3-iodopropyl)-2-methyl-2-methylsulfonylpropanamide
CID 114504386
N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide
CID 79048196
(2-oxopropylamino)thiourea
CID 140983866
2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide
CID 103512686
(2S,3R)-3-hydroxy-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]butanoic acid
CID 104964818
N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-2-methylsulfonylpropanamide
CID 113433748
2-ethyl-2-[[(2-methyl-2-methylsulfonylpropanoyl)amino]methyl]butanoic acid
CID 115429761

Frequently Asked Questions

What is the IUPAC name of [(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea?
The IUPAC name of [(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea (CID 65214617) is [(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea.
What is the SMILES notation for [(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea?
The canonical SMILES for [(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea is CC(C)(C(=O)NNC(N)=S)S(C)(=O)=O.
What is the InChIKey of [(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea?
The InChIKey is AWXXDXNYVFYANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S2/c1-6(2,14(3,11)12)4(10)8-9-5(7)13/h1-3H3,(H,8,10)(H3,7,9,13).
What are the key properties of [(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea?
[(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea has a molecular weight of 239.32 g/mol, XLogP of -1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methyl-2-methylsulfonylpropanoyl)amino]thiourea is sourced from PubChem (CID 65214617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).