1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea

C19H26N3OS+ — CID 8724817

IUPAC1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
SMILESC[C@@H](NC(=S)NCC[NH+]1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C19H25N3OS/c1-15(17-8-4-6-16-5-2-3-7-18(16)17)21-19(24)20-9-10-22-11-13-23-14-12-22/h2-8,15H,9-14H2,1H3,(H2,20,21,24)/p+1/t15-/m1/s1
InChIKeyHVYXVNGJSFDXIC-OAHLLOKOSA-O
MW344.50 g/mol
LogP1.28
Rot. Bonds5

About 1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea

1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea (PubChem CID 8724817) has the molecular formula C19H26N3OS+ and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
PubChem CID8724817
Molecular FormulaC19H26N3OS+
Molecular Weight344.50 g/mol
Exact Mass344.18
IUPAC Name1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
SMILESC[C@@H](NC(=S)NCC[NH+]1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C19H25N3OS/c1-15(17-8-4-6-16-5-2-3-7-18(16)17)21-19(24)20-9-10-22-11-13-23-14-12-22/h2-8,15H,9-14H2,1H3,(H2,20,21,24)/p+1/t15-/m1/s1
InChIKeyHVYXVNGJSFDXIC-OAHLLOKOSA-O
XLogP1.28
TPSA37.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8676518
1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8724859
1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8724827
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8678796
1-(2-morpholin-4-ium-4-ylethyl)-3-(phthalazin-1-ylamino)thiourea
CID 2396010
1-(2-morpholin-4-ium-4-ylethyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]thiourea
CID 8767625
1-[(Z)-(3-methyl-1-phenylbutylidene)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8978942
1-(4-methylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8657829
1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657843
1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8724805
1-(2-fluorophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7303712
2-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzamide
CID 7349244

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The IUPAC name of 1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea (CID 8724817) is 1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea.
What is the SMILES notation for 1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The canonical SMILES for 1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea is C[C@@H](NC(=S)NCC[NH+]1CCOCC1)c1cccc2ccccc12.
What is the InChIKey of 1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The InChIKey is HVYXVNGJSFDXIC-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H25N3OS/c1-15(17-8-4-6-16-5-2-3-7-18(16)17)21-19(24)20-9-10-22-11-13-23-14-12-22/h2-8,15H,9-14H2,1H3,(H2,20,21,24)/p+1/t15-/m1/s1.
What are the key properties of 1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea has a molecular weight of 344.50 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea is sourced from PubChem (CID 8724817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).