1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea

C15H24N2O2S — CID 75483881

IUPAC1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea
SMILESCN(CC1CCCCC1O)C(=O)NCCc1ccsc1
InChIInChI=1S/C15H24N2O2S/c1-17(10-13-4-2-3-5-14(13)18)15(19)16-8-6-12-7-9-20-11-12/h7,9,11,13-14,18H,2-6,8,10H2,1H3,(H,16,19)
InChIKeyDXZRLPBEEWEMAB-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.48
Rot. Bonds5

About 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea

1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea (PubChem CID 75483881) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea
PubChem CID75483881
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea
SMILESCN(CC1CCCCC1O)C(=O)NCCc1ccsc1
InChIInChI=1S/C15H24N2O2S/c1-17(10-13-4-2-3-5-14(13)18)15(19)16-8-6-12-7-9-20-11-12/h7,9,11,13-14,18H,2-6,8,10H2,1H3,(H,16,19)
InChIKeyDXZRLPBEEWEMAB-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea (CID 75483881) is 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea is CN(CC1CCCCC1O)C(=O)NCCc1ccsc1.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea?
The InChIKey is DXZRLPBEEWEMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-17(10-13-4-2-3-5-14(13)18)15(19)16-8-6-12-7-9-20-11-12/h7,9,11,13-14,18H,2-6,8,10H2,1H3,(H,16,19).
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea?
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea has a molecular weight of 296.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 75483881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).