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

C11H22N2O2S — CID 84590729

IUPAC1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea
SMILESCSCC(C)CNC(=O)NC1(C)CCOC1
InChIInChI=1S/C11H22N2O2S/c1-9(7-16-3)6-12-10(14)13-11(2)4-5-15-8-11/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyZPXMEVQRMIOGFY-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.46
Rot. Bonds5

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

1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea (PubChem CID 84590729) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea
PubChem CID84590729
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea
SMILESCSCC(C)CNC(=O)NC1(C)CCOC1
InChIInChI=1S/C11H22N2O2S/c1-9(7-16-3)6-12-10(14)13-11(2)4-5-15-8-11/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyZPXMEVQRMIOGFY-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64894113
3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide
CID 64892611
1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63959006
2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclobutyl]acetic acid
CID 79852021
4-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)oxane-4-carboxamide
CID 63958694
1-tert-butyl-3-(3-methyloxolan-3-yl)urea
CID 115766446
1-ethoxy-3-(3-methyloxolan-3-yl)urea
CID 130615932
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 63957312
4-amino-2-[(3-methyloxolan-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 113364506
3-methyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63958793
1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
CID 115624328
1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea
CID 134434403

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea?
The IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea (CID 84590729) is 1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea.
What is the SMILES notation for 1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea?
The canonical SMILES for 1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea is CSCC(C)CNC(=O)NC1(C)CCOC1.
What is the InChIKey of 1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea?
The InChIKey is ZPXMEVQRMIOGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(7-16-3)6-12-10(14)13-11(2)4-5-15-8-11/h9H,4-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea?
1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea has a molecular weight of 246.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea is sourced from PubChem (CID 84590729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).