1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

C15H22N2O2S — CID 111440963

IUPAC1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCC(O)(CNC(=O)NC(C1CC1)C1CC1)c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-15(19,12-3-2-8-20-12)9-16-14(18)17-13(10-4-5-10)11-6-7-11/h2-3,8,10-11,13,19H,4-7,9H2,1H3,(H2,16,17,18)
InChIKeyGTZOEXVVKSYRGZ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.44
Rot. Bonds6

About 1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (PubChem CID 111440963) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
PubChem CID111440963
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCC(O)(CNC(=O)NC(C1CC1)C1CC1)c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-15(19,12-3-2-8-20-12)9-16-14(18)17-13(10-4-5-10)11-6-7-11/h2-3,8,10-11,13,19H,4-7,9H2,1H3,(H2,16,17,18)
InChIKeyGTZOEXVVKSYRGZ-UHFFFAOYSA-N
XLogP2.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111442087
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111443990
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111440902
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479690
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443293
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (CID 111440963) is 1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is CC(O)(CNC(=O)NC(C1CC1)C1CC1)c1cccs1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The InChIKey is GTZOEXVVKSYRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(19,12-3-2-8-20-12)9-16-14(18)17-13(10-4-5-10)11-6-7-11/h2-3,8,10-11,13,19H,4-7,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea has a molecular weight of 294.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 111440963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).