1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea

C13H27N3OS — CID 115590205

IUPAC1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H27N3OS/c1-16(2)13(7-4-5-8-13)11-15-12(18)14-9-6-10-17-3/h4-11H2,1-3H3,(H2,14,15,18)
InChIKeyQBIKKOUMQGAWSS-UHFFFAOYSA-N
MW273.45 g/mol
LogP1.36
Rot. Bonds7

About 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea

1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea (PubChem CID 115590205) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea
PubChem CID115590205
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC Name1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H27N3OS/c1-16(2)13(7-4-5-8-13)11-15-12(18)14-9-6-10-17-3/h4-11H2,1-3H3,(H2,14,15,18)
InChIKeyQBIKKOUMQGAWSS-UHFFFAOYSA-N
XLogP1.36
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)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

1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea
CID 103723918
1-(3-methoxypropyl)-3-[(1-methylsulfanylcyclopentyl)methyl]thiourea
CID 114115865
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea
CID 105413208
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 78914071
1-[[2-(2-methoxyethoxy)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 112752546
1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
1-cyclobutyl-3-(3-methoxypropyl)thiourea
CID 115617445
1-(4-chlorophenyl)-3-[[1-(dimethylamino)cyclohexyl]methyl]thiourea
CID 8771058
1-(2,2-difluoroethyl)-3-(3-methoxypropyl)thiourea
CID 115667334
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
CID 83109897
1-(3-methoxypropyl)-3-[(1-methylpiperidin-3-yl)methyl]thiourea
CID 115618335
1-(3-ethoxypropyl)-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea
CID 116509453

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea?
The IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea (CID 115590205) is 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea is COCCCNC(=S)NCC1(N(C)C)CCCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea?
The InChIKey is QBIKKOUMQGAWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3OS/c1-16(2)13(7-4-5-8-13)11-15-12(18)14-9-6-10-17-3/h4-11H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea?
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea has a molecular weight of 273.45 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-methoxypropyl)thiourea is sourced from PubChem (CID 115590205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).