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

C6H14N2OS — CID 115755701

IUPAC1-methyl-3-(2-methylsulfanylpropyl)urea
SMILESCNC(=O)NCC(C)SC
InChIInChI=1S/C6H14N2OS/c1-5(10-3)4-8-6(9)7-2/h5H,4H2,1-3H3,(H2,7,8,9)
InChIKeyVEJKKMBXXJJJDP-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.67
Rot. Bonds3

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

1-methyl-3-(2-methylsulfanylpropyl)urea (PubChem CID 115755701) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 1-methyl-3-(2-methylsulfanylpropyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methylsulfanylpropyl)urea
PubChem CID115755701
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name1-methyl-3-(2-methylsulfanylpropyl)urea
SMILESCNC(=O)NCC(C)SC
InChIInChI=1S/C6H14N2OS/c1-5(10-3)4-8-6(9)7-2/h5H,4H2,1-3H3,(H2,7,8,9)
InChIKeyVEJKKMBXXJJJDP-UHFFFAOYSA-N
XLogP0.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylsulfanylpropyl)urea?
The IUPAC name of 1-methyl-3-(2-methylsulfanylpropyl)urea (CID 115755701) is 1-methyl-3-(2-methylsulfanylpropyl)urea.
What is the SMILES notation for 1-methyl-3-(2-methylsulfanylpropyl)urea?
The canonical SMILES for 1-methyl-3-(2-methylsulfanylpropyl)urea is CNC(=O)NCC(C)SC.
What is the InChIKey of 1-methyl-3-(2-methylsulfanylpropyl)urea?
The InChIKey is VEJKKMBXXJJJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-5(10-3)4-8-6(9)7-2/h5H,4H2,1-3H3,(H2,7,8,9).
What are the key properties of 1-methyl-3-(2-methylsulfanylpropyl)urea?
1-methyl-3-(2-methylsulfanylpropyl)urea has a molecular weight of 162.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylsulfanylpropyl)urea is sourced from PubChem (CID 115755701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).