1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea

C12H24N2O2S — CID 71852258

IUPAC1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea
SMILESCSC(C)(C)CNC(=O)N(C)CC1CCCO1
InChIInChI=1S/C12H24N2O2S/c1-12(2,17-4)9-13-11(15)14(3)8-10-6-5-7-16-10/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyUGWSDVGAXCJLMN-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.95
Rot. Bonds5

About 1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea

1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea (PubChem CID 71852258) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea
PubChem CID71852258
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea
SMILESCSC(C)(C)CNC(=O)N(C)CC1CCCO1
InChIInChI=1S/C12H24N2O2S/c1-12(2,17-4)9-13-11(15)14(3)8-10-6-5-7-16-10/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyUGWSDVGAXCJLMN-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea (CID 71852258) is 1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea is CSC(C)(C)CNC(=O)N(C)CC1CCCO1.
What is the InChIKey of 1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea?
The InChIKey is UGWSDVGAXCJLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(2,17-4)9-13-11(15)14(3)8-10-6-5-7-16-10/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea?
1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea has a molecular weight of 260.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 71852258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).