3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea

C11H24N2OS — CID 115580720

IUPAC3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea
SMILESCCCC(C)N(C)C(=S)NC(C)COC
InChIInChI=1S/C11H24N2OS/c1-6-7-10(3)13(4)11(15)12-9(2)8-14-5/h9-10H,6-8H2,1-5H3,(H,12,15)
InChIKeyLJPROAPISCHXGR-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.02
Rot. Bonds6

About 3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea

3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea (PubChem CID 115580720) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea
PubChem CID115580720
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea
SMILESCCCC(C)N(C)C(=S)NC(C)COC
InChIInChI=1S/C11H24N2OS/c1-6-7-10(3)13(4)11(15)12-9(2)8-14-5/h9-10H,6-8H2,1-5H3,(H,12,15)
InChIKeyLJPROAPISCHXGR-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(1-methoxypropan-2-yl)-1-methyl-1-(2-methylsulfanylethyl)thiourea
CID 115687485
3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid
CID 81083904
1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea
CID 113225530
1-(1-methoxypropan-2-yl)-3-(4-methylhexan-2-yl)thiourea
CID 115662327
1-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1-methylthiourea
CID 115587822
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 62118570
3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea
CID 47950516
1-methyl-1-(4-methylpentan-2-yl)-3-propan-2-ylthiourea
CID 115579007
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
CID 62014011
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432
1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea
CID 115635665

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea?
The IUPAC name of 3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea (CID 115580720) is 3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea.
What is the SMILES notation for 3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea?
The canonical SMILES for 3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea is CCCC(C)N(C)C(=S)NC(C)COC.
What is the InChIKey of 3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea?
The InChIKey is LJPROAPISCHXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-6-7-10(3)13(4)11(15)12-9(2)8-14-5/h9-10H,6-8H2,1-5H3,(H,12,15).
What are the key properties of 3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea?
3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea has a molecular weight of 232.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yl)-1-methyl-1-pentan-2-ylthiourea is sourced from PubChem (CID 115580720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).