1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea

C13H24N2O2S — CID 95969247

IUPAC1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea
SMILESCCS[C@@H]1CC[C@H](NC(=O)NC[C@H](O)C2CC2)C1
InChIInChI=1S/C13H24N2O2S/c1-2-18-11-6-5-10(7-11)15-13(17)14-8-12(16)9-3-4-9/h9-12,16H,2-8H2,1H3,(H2,14,15,17)/t10-,11+,12-/m0/s1
InChIKeyBIIWBJMTHMMEEZ-TUAOUCFPSA-N
MW272.41 g/mol
LogP1.73
Rot. Bonds6

About 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea

1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea (PubChem CID 95969247) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea
PubChem CID95969247
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea
SMILESCCS[C@@H]1CC[C@H](NC(=O)NC[C@H](O)C2CC2)C1
InChIInChI=1S/C13H24N2O2S/c1-2-18-11-6-5-10(7-11)15-13(17)14-8-12(16)9-3-4-9/h9-12,16H,2-8H2,1H3,(H2,14,15,17)/t10-,11+,12-/m0/s1
InChIKeyBIIWBJMTHMMEEZ-TUAOUCFPSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea?
The IUPAC name of 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea (CID 95969247) is 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea.
What is the SMILES notation for 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea?
The canonical SMILES for 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea is CCS[C@@H]1CC[C@H](NC(=O)NC[C@H](O)C2CC2)C1.
What is the InChIKey of 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea?
The InChIKey is BIIWBJMTHMMEEZ-TUAOUCFPSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-2-18-11-6-5-10(7-11)15-13(17)14-8-12(16)9-3-4-9/h9-12,16H,2-8H2,1H3,(H2,14,15,17)/t10-,11+,12-/m0/s1.
What are the key properties of 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea?
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea has a molecular weight of 272.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea is sourced from PubChem (CID 95969247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).