1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea

C9H19N3S — CID 105413211

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea
SMILESCNC(=S)NCC1(N(C)C)CCC1
InChIInChI=1S/C9H19N3S/c1-10-8(13)11-7-9(12(2)3)5-4-6-9/h4-7H2,1-3H3,(H2,10,11,13)
InChIKeyJPNCCKKAGACWCX-UHFFFAOYSA-N
MW201.34 g/mol
LogP0.56
Rot. Bonds3

About 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea

1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea (PubChem CID 105413211) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea
PubChem CID105413211
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea
SMILESCNC(=S)NCC1(N(C)C)CCC1
InChIInChI=1S/C9H19N3S/c1-10-8(13)11-7-9(12(2)3)5-4-6-9/h4-7H2,1-3H3,(H2,10,11,13)
InChIKeyJPNCCKKAGACWCX-UHFFFAOYSA-N
XLogP0.56
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1,3-Bis(methylamino)-2-(methylaminomethyl)propan-2-yl]-1-methyl-1-pentylthiourea
CID 163987191
1-[[1-(Dimethylamino)cyclobutyl]methyl]-3-ethylthiourea
CID 105413203
1-[[1-(Dimethylamino)cyclobutyl]methyl]-3-propylthiourea
CID 105413205
1-Cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea
CID 105413206
1-Butyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea
CID 105413207
1-[[1-(Dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea
CID 105413208
1-[[1-(Dimethylamino)cyclobutyl]methyl]-3-propan-2-ylthiourea
CID 105413210
1-Cyclohexyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea
CID 105413212
1-[[1-(Dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methylthiourea
CID 105413524
1-[[1-(Dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea
CID 105413556
3-Cyclopropyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea
CID 105413563
3-Butyl-1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylthiourea
CID 105413586

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea (CID 105413211) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea is CNC(=S)NCC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea?
The InChIKey is JPNCCKKAGACWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-10-8(13)11-7-9(12(2)3)5-4-6-9/h4-7H2,1-3H3,(H2,10,11,13).
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea?
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea has a molecular weight of 201.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylthiourea is sourced from PubChem (CID 105413211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).