[3-(morpholin-4-ylmethyl)phenyl]thiourea

C12H17N3OS — CID 97033783

IUPAC[3-(morpholin-4-ylmethyl)phenyl]thiourea
SMILESNC(=S)Nc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H17N3OS/c13-12(17)14-11-3-1-2-10(8-11)9-15-4-6-16-7-5-15/h1-3,8H,4-7,9H2,(H3,13,14,17)
InChIKeyBUSBPCXODAHHIX-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.17
Rot. Bonds3

About [3-(morpholin-4-ylmethyl)phenyl]thiourea

[3-(morpholin-4-ylmethyl)phenyl]thiourea (PubChem CID 97033783) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)phenyl]thiourea.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)phenyl]thiourea
PubChem CID97033783
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[3-(morpholin-4-ylmethyl)phenyl]thiourea
SMILESNC(=S)Nc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H17N3OS/c13-12(17)14-11-3-1-2-10(8-11)9-15-4-6-16-7-5-15/h1-3,8H,4-7,9H2,(H3,13,14,17)
InChIKeyBUSBPCXODAHHIX-UHFFFAOYSA-N
XLogP1.17
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.17
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

1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea
CID 4152907
2-(3-methylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 19516890
1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 51096615
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
N-butyl-3-(morpholin-4-ylmethyl)aniline
CID 174541370
cis-(1R,2S)-N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 51699063
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenoxy-2-phenylacetamide
CID 47776428
(Z)-3-(furan-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 97456575
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111051021

Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylmethyl)phenyl]thiourea?
The IUPAC name of [3-(morpholin-4-ylmethyl)phenyl]thiourea (CID 97033783) is [3-(morpholin-4-ylmethyl)phenyl]thiourea.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)phenyl]thiourea?
The canonical SMILES for [3-(morpholin-4-ylmethyl)phenyl]thiourea is NC(=S)Nc1cccc(CN2CCOCC2)c1.
What is the InChIKey of [3-(morpholin-4-ylmethyl)phenyl]thiourea?
The InChIKey is BUSBPCXODAHHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-12(17)14-11-3-1-2-10(8-11)9-15-4-6-16-7-5-15/h1-3,8H,4-7,9H2,(H3,13,14,17).
What are the key properties of [3-(morpholin-4-ylmethyl)phenyl]thiourea?
[3-(morpholin-4-ylmethyl)phenyl]thiourea has a molecular weight of 251.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylmethyl)phenyl]thiourea is sourced from PubChem (CID 97033783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).