N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide

C7H13N3S2 — CID 157064215

IUPACN-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide
SMILESCNC(=S)N(C)C(=S)N1CCC1
InChIInChI=1S/C7H13N3S2/c1-8-6(11)9(2)7(12)10-4-3-5-10/h3-5H2,1-2H3,(H,8,11)
InChIKeyVQSGNCSOSCSBAO-UHFFFAOYSA-N
MW203.34 g/mol
LogP0.41
Rot. Bonds

About N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide

N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide (PubChem CID 157064215) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide.

Molecular Properties

Compound NameN-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide
PubChem CID157064215
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC NameN-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide
SMILESCNC(=S)N(C)C(=S)N1CCC1
InChIInChI=1S/C7H13N3S2/c1-8-6(11)9(2)7(12)10-4-3-5-10/h3-5H2,1-2H3,(H,8,11)
InChIKeyVQSGNCSOSCSBAO-UHFFFAOYSA-N
XLogP0.41
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide 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

1,3-dimethyl-1-piperidin-1-ylthiourea
CID 54259853
ethoxyethane;1-ethoxypropane;N-ethylethanamine;hexane;N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide;3-methylpentane;2-methylprop-1-ene;pentane;pentan-3-ol;propane
CID 157064214
1,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxythiourea
CID 154084290
1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide
CID 2731758
4-(dimethylamino)-N-methylpiperidine-1-carbothioamide
CID 115583416
1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide
CID 90690352
2-[methyl(methylcarbamothioyl)amino]acetic acid
CID 14685968
1,3-dimethylthiourea
CID 159246165
1-amino-1-tert-butyl-3-methylthiourea
CID 22975155
N-methyl-1-piperidin-1-yl-N-(1-piperidin-1-ylethenyl)ethenamine
CID 90055868
1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea
CID 105413660
1-(cyclobutylmethyl)-1-ethyl-3-methylthiourea
CID 107397920

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide?
The IUPAC name of N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide (CID 157064215) is N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide.
What is the SMILES notation for N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide?
The canonical SMILES for N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide is CNC(=S)N(C)C(=S)N1CCC1.
What is the InChIKey of N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide?
The InChIKey is VQSGNCSOSCSBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-8-6(11)9(2)7(12)10-4-3-5-10/h3-5H2,1-2H3,(H,8,11).
What are the key properties of N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide?
N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide has a molecular weight of 203.34 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylcarbamothioyl)azetidine-1-carbothioamide is sourced from PubChem (CID 157064215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).