1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea

C15H22N2O2S — CID 111859231

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea
SMILESCSCc1ccc(NC(=O)N(C)CC(O)C2CC2)cc1
InChIInChI=1S/C15H22N2O2S/c1-17(9-14(18)12-5-6-12)15(19)16-13-7-3-11(4-8-13)10-20-2/h3-4,7-8,12,14,18H,5-6,9-10H2,1-2H3,(H,16,19)
InChIKeyJVPRXKPKUDXSTE-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea

1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea (PubChem CID 111859231) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea
PubChem CID111859231
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea
SMILESCSCc1ccc(NC(=O)N(C)CC(O)C2CC2)cc1
InChIInChI=1S/C15H22N2O2S/c1-17(9-14(18)12-5-6-12)15(19)16-13-7-3-11(4-8-13)10-20-2/h3-4,7-8,12,14,18H,5-6,9-10H2,1-2H3,(H,16,19)
InChIKeyJVPRXKPKUDXSTE-UHFFFAOYSA-N
XLogP2.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea
CID 111859076
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-prop-2-ynoxyphenyl)urea
CID 71860767
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3,5-dichlorophenyl)-1-methylurea
CID 111859033
1-(2-hydroxypropyl)-3-[4-(methylsulfanylmethyl)phenyl]-1-propan-2-ylurea
CID 111969735
3-(4-chloro-3-fluorophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859145
1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea
CID 111859174
3-(4-bromo-3-methoxyphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859315
3-(4-chloro-3-nitrophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859060
3-(2-bromophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859004
1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(difluoromethylsulfanyl)phenyl]-1-methylurea
CID 111859091
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111859309
3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859281

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea (CID 111859231) is 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea is CSCc1ccc(NC(=O)N(C)CC(O)C2CC2)cc1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea?
The InChIKey is JVPRXKPKUDXSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-17(9-14(18)12-5-6-12)15(19)16-13-7-3-11(4-8-13)10-20-2/h3-4,7-8,12,14,18H,5-6,9-10H2,1-2H3,(H,16,19).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea?
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea has a molecular weight of 294.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea is sourced from PubChem (CID 111859231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).