1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea

C10H21N3S — CID 105413660

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea
SMILESCNC(=S)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C10H21N3S/c1-11-9(14)13(4)8-10(12(2)3)6-5-7-10/h5-8H2,1-4H3,(H,11,14)
InChIKeyPSBVGQHPAMWTLG-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.91
Rot. Bonds3

About 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea

1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea (PubChem CID 105413660) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea
PubChem CID105413660
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea
SMILESCNC(=S)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C10H21N3S/c1-11-9(14)13(4)8-10(12(2)3)6-5-7-10/h5-8H2,1-4H3,(H,11,14)
InChIKeyPSBVGQHPAMWTLG-UHFFFAOYSA-N
XLogP0.91
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea 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-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea
CID 105413556
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(methylamino)butanamide
CID 105417667
1-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclopentane-1-carboxamide
CID 105418040
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 105417592
1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine
CID 105418711
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105418027
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
CID 105417788
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
CID 105417802
(2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 105417719
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid
CID 105419709
1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 105419749

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea (CID 105413660) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea is CNC(=S)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea?
The InChIKey is PSBVGQHPAMWTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-11-9(14)13(4)8-10(12(2)3)6-5-7-10/h5-8H2,1-4H3,(H,11,14).
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea?
1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea has a molecular weight of 215.37 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-dimethylthiourea is sourced from PubChem (CID 105413660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).