1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

C15H23N4O3S+ — CID 2109384

IUPAC1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
SMILESO=C(NNC(=S)NCCC[NH+]1CCOCC1)c1ccccc1O
InChIInChI=1S/C15H22N4O3S/c20-13-5-2-1-4-12(13)14(21)17-18-15(23)16-6-3-7-19-8-10-22-11-9-19/h1-2,4-5,20H,3,6-11H2,(H,17,21)(H2,16,18,23)/p+1
InChIKeyRJFBGXYHRIWCJU-UHFFFAOYSA-O
MW339.44 g/mol
LogP-1.19
Rot. Bonds5

About 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea (PubChem CID 2109384) has the molecular formula C15H23N4O3S+ and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
PubChem CID2109384
Molecular FormulaC15H23N4O3S+
Molecular Weight339.44 g/mol
Exact Mass339.15
IUPAC Name1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
SMILESO=C(NNC(=S)NCCC[NH+]1CCOCC1)c1ccccc1O
InChIInChI=1S/C15H22N4O3S/c20-13-5-2-1-4-12(13)14(21)17-18-15(23)16-6-3-7-19-8-10-22-11-9-19/h1-2,4-5,20H,3,6-11H2,(H,17,21)(H2,16,18,23)/p+1
InChIKeyRJFBGXYHRIWCJU-UHFFFAOYSA-O
XLogP-1.19
TPSA87.06 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 5-1.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8669415
1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 2109385
1-[(3-chlorobenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8730957
1-[(2-hydroxybenzoyl)amino]-3-(3-methylsulfanylpropyl)thiourea
CID 7943517
N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 7270325
1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8787889
2-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzamide
CID 7349244
1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8617117
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8659444
methyl 6-[[(2-hydroxybenzoyl)amino]carbamothioylamino]hexanoate
CID 8669515
N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 7258640
4-benzoyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide
CID 8787567

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea?
The IUPAC name of 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea (CID 2109384) is 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea.
What is the SMILES notation for 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea?
The canonical SMILES for 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea is O=C(NNC(=S)NCCC[NH+]1CCOCC1)c1ccccc1O.
What is the InChIKey of 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea?
The InChIKey is RJFBGXYHRIWCJU-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N4O3S/c20-13-5-2-1-4-12(13)14(21)17-18-15(23)16-6-3-7-19-8-10-22-11-9-19/h1-2,4-5,20H,3,6-11H2,(H,17,21)(H2,16,18,23)/p+1.
What are the key properties of 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea?
1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea has a molecular weight of 339.44 g/mol, XLogP of -1.19, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea is sourced from PubChem (CID 2109384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).