1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea

C13H19N3OS — CID 135042441

IUPAC1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea
SMILESCOC[C@H]1CCCN1NC(=S)Nc1ccccc1
InChIInChI=1S/C13H19N3OS/c1-17-10-12-8-5-9-16(12)15-13(18)14-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H2,14,15,18)/t12-/m1/s1
InChIKeyCPVVDCILGZEEGJ-GFCCVEGCSA-N
MW265.38 g/mol
LogP2.00
Rot. Bonds4

About 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea

1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea (PubChem CID 135042441) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea
PubChem CID135042441
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea
SMILESCOC[C@H]1CCCN1NC(=S)Nc1ccccc1
InChIInChI=1S/C13H19N3OS/c1-17-10-12-8-5-9-16(12)15-13(18)14-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H2,14,15,18)/t12-/m1/s1
InChIKeyCPVVDCILGZEEGJ-GFCCVEGCSA-N
XLogP2.00
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
CID 91183641
(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine
CID 135000070
(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine
CID 135001015
(2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 134924028
2-benzyl-N-phenylpyrrolidine-1-carbothioamide
CID 134100768
1-(2-bromophenyl)-3-[4-chloro-2-hydroxy-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfamoyl]phenyl]thiourea
CID 20612317
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide
CID 20788830
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 129496688
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
CID 10925908
CID 10925908
1-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]-3-phenylurea
CID 74735106
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea?
The IUPAC name of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea (CID 135042441) is 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea.
What is the SMILES notation for 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea?
The canonical SMILES for 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea is COC[C@H]1CCCN1NC(=S)Nc1ccccc1.
What is the InChIKey of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea?
The InChIKey is CPVVDCILGZEEGJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-17-10-12-8-5-9-16(12)15-13(18)14-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H2,14,15,18)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea?
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea has a molecular weight of 265.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea is sourced from PubChem (CID 135042441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).