1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

C14H29N3OS — CID 71868349

IUPAC1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCSC(C)(C)CNC(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C14H29N3OS/c1-14(2,19-4)11-16-13(18)15-8-5-12-6-9-17(3)10-7-12/h12H,5-11H2,1-4H3,(H2,15,16,18)
InChIKeyFCQOWBMTKWFNIX-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.16
Rot. Bonds6

About 1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (PubChem CID 71868349) has the molecular formula C14H29N3OS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
PubChem CID71868349
Molecular FormulaC14H29N3OS
Molecular Weight287.47 g/mol
Exact Mass287.20
IUPAC Name1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCSC(C)(C)CNC(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C14H29N3OS/c1-14(2,19-4)11-16-13(18)15-8-5-12-6-9-17(3)10-7-12/h12H,5-11H2,1-4H3,(H2,15,16,18)
InChIKeyFCQOWBMTKWFNIX-UHFFFAOYSA-N
XLogP2.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The IUPAC name of 1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (CID 71868349) is 1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is CSC(C)(C)CNC(=O)NCCC1CCN(C)CC1.
What is the InChIKey of 1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The InChIKey is FCQOWBMTKWFNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3OS/c1-14(2,19-4)11-16-13(18)15-8-5-12-6-9-17(3)10-7-12/h12H,5-11H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea has a molecular weight of 287.47 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is sourced from PubChem (CID 71868349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).