1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea

C15H22N2O2S — CID 129422282

IUPAC1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea
SMILESCS[C@H](C)c1cccc(NC(=O)N[C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C15H22N2O2S/c1-10(20-2)11-5-3-6-12(9-11)16-15(19)17-13-7-4-8-14(13)18/h3,5-6,9-10,13-14,18H,4,7-8H2,1-2H3,(H2,16,17,19)/t10-,13-,14-/m1/s1
InChIKeyJDLMNYOZTBZGLR-LERXQTSPSA-N
MW294.42 g/mol
LogP3.15
Rot. Bonds4

About 1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea

1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea (PubChem CID 129422282) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea
PubChem CID129422282
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea
SMILESCS[C@H](C)c1cccc(NC(=O)N[C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C15H22N2O2S/c1-10(20-2)11-5-3-6-12(9-11)16-15(19)17-13-7-4-8-14(13)18/h3,5-6,9-10,13-14,18H,4,7-8H2,1-2H3,(H2,16,17,19)/t10-,13-,14-/m1/s1
InChIKeyJDLMNYOZTBZGLR-LERXQTSPSA-N
XLogP3.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817286
1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
CID 63279777
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
CID 104956122
1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933001
N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
CID 60980286
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(1-methylsulfanylethyl)phenyl]urea
CID 71858486
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea
CID 82737312

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea?
The IUPAC name of 1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea (CID 129422282) is 1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea?
The canonical SMILES for 1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea is CS[C@H](C)c1cccc(NC(=O)N[C@@H]2CCC[C@H]2O)c1.
What is the InChIKey of 1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea?
The InChIKey is JDLMNYOZTBZGLR-LERXQTSPSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10(20-2)11-5-3-6-12(9-11)16-15(19)17-13-7-4-8-14(13)18/h3,5-6,9-10,13-14,18H,4,7-8H2,1-2H3,(H2,16,17,19)/t10-,13-,14-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea?
1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea has a molecular weight of 294.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea is sourced from PubChem (CID 129422282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).