1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea

C11H16N2OS — CID 7944938

IUPAC1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea
SMILESCNC(=S)N[C@H](C)c1ccccc1OC
InChIInChI=1S/C11H16N2OS/c1-8(13-11(15)12-2)9-6-4-5-7-10(9)14-3/h4-8H,1-3H3,(H2,12,13,15)/t8-/m1/s1
InChIKeyXYCNURHJCAXWOB-MRVPVSSYSA-N
MW224.33 g/mol
LogP1.85
Rot. Bonds3

About 1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea

1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea (PubChem CID 7944938) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea
PubChem CID7944938
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea
SMILESCNC(=S)N[C@H](C)c1ccccc1OC
InChIInChI=1S/C11H16N2OS/c1-8(13-11(15)12-2)9-6-4-5-7-10(9)14-3/h4-8H,1-3H3,(H2,12,13,15)/t8-/m1/s1
InChIKeyXYCNURHJCAXWOB-MRVPVSSYSA-N
XLogP1.85
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387957
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81390779
N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 47101319
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea?
The IUPAC name of 1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea (CID 7944938) is 1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea.
What is the SMILES notation for 1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea?
The canonical SMILES for 1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea is CNC(=S)N[C@H](C)c1ccccc1OC.
What is the InChIKey of 1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea?
The InChIKey is XYCNURHJCAXWOB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(13-11(15)12-2)9-6-4-5-7-10(9)14-3/h4-8H,1-3H3,(H2,12,13,15)/t8-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea?
1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea has a molecular weight of 224.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methylthiourea is sourced from PubChem (CID 7944938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).