3-(3-methoxypropyl)-1-methyl-1-pentylthiourea

C11H24N2OS — CID 116507373

IUPAC3-(3-methoxypropyl)-1-methyl-1-pentylthiourea
SMILESCCCCCN(C)C(=S)NCCCOC
InChIInChI=1S/C11H24N2OS/c1-4-5-6-9-13(2)11(15)12-8-7-10-14-3/h4-10H2,1-3H3,(H,12,15)
InChIKeyNKGSSSSIKYNZBO-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.02
Rot. Bonds8

About 3-(3-methoxypropyl)-1-methyl-1-pentylthiourea

3-(3-methoxypropyl)-1-methyl-1-pentylthiourea (PubChem CID 116507373) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-methyl-1-pentylthiourea.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-methyl-1-pentylthiourea
PubChem CID116507373
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name3-(3-methoxypropyl)-1-methyl-1-pentylthiourea
SMILESCCCCCN(C)C(=S)NCCCOC
InChIInChI=1S/C11H24N2OS/c1-4-5-6-9-13(2)11(15)12-8-7-10-14-3/h4-10H2,1-3H3,(H,12,15)
InChIKeyNKGSSSSIKYNZBO-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-1-(3-methoxypropyl)-1-methylthiourea
CID 115595156
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)-1-methylthiourea
CID 116508676
1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea
CID 115570268
3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea
CID 115620797
3-(3-methoxypropyl)-1-methyl-1-(2,2,2-trifluoroethyl)thiourea
CID 116507563
1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea
CID 115587999
N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide
CID 108943305
1,1,3-trihexylthiourea
CID 19875506
1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea
CID 102992244
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
3-tert-butyl-1-methyl-1-pentylthiourea
CID 10242445
1-butyl-3-(5-methoxypentyl)-1,2-dimethylguanidine;hydroiodide
CID 111159574

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-methyl-1-pentylthiourea?
The IUPAC name of 3-(3-methoxypropyl)-1-methyl-1-pentylthiourea (CID 116507373) is 3-(3-methoxypropyl)-1-methyl-1-pentylthiourea.
What is the SMILES notation for 3-(3-methoxypropyl)-1-methyl-1-pentylthiourea?
The canonical SMILES for 3-(3-methoxypropyl)-1-methyl-1-pentylthiourea is CCCCCN(C)C(=S)NCCCOC.
What is the InChIKey of 3-(3-methoxypropyl)-1-methyl-1-pentylthiourea?
The InChIKey is NKGSSSSIKYNZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-5-6-9-13(2)11(15)12-8-7-10-14-3/h4-10H2,1-3H3,(H,12,15).
What are the key properties of 3-(3-methoxypropyl)-1-methyl-1-pentylthiourea?
3-(3-methoxypropyl)-1-methyl-1-pentylthiourea has a molecular weight of 232.39 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-methyl-1-pentylthiourea is sourced from PubChem (CID 116507373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).