1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea

C11H21N3S — CID 105413206

IUPAC1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea
SMILESCN(C)C1(CNC(=S)NC2CC2)CCC1
InChIInChI=1S/C11H21N3S/c1-14(2)11(6-3-7-11)8-12-10(15)13-9-4-5-9/h9H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyJADRSOYAXFHDHX-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.10
Rot. Bonds4

About 1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea

1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea (PubChem CID 105413206) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea
PubChem CID105413206
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea
SMILESCN(C)C1(CNC(=S)NC2CC2)CCC1
InChIInChI=1S/C11H21N3S/c1-14(2)11(6-3-7-11)8-12-10(15)13-9-4-5-9/h9H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyJADRSOYAXFHDHX-UHFFFAOYSA-N
XLogP1.10
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea (CID 105413206) is 1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea is CN(C)C1(CNC(=S)NC2CC2)CCC1.
What is the InChIKey of 1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea?
The InChIKey is JADRSOYAXFHDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-14(2)11(6-3-7-11)8-12-10(15)13-9-4-5-9/h9H,3-8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea?
1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea has a molecular weight of 227.38 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea is sourced from PubChem (CID 105413206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).