morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione

C12H18N2OS — CID 798135

IUPACmorpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione
SMILESCc1cc(C(=S)N2CCOCC2)c(C)n1C
InChIInChI=1S/C12H18N2OS/c1-9-8-11(10(2)13(9)3)12(16)14-4-6-15-7-5-14/h8H,4-7H2,1-3H3
InChIKeyGUALEFUSOGVQNR-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.65
Rot. Bonds1

About morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione

morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione (PubChem CID 798135) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione.

Molecular Properties

Compound Namemorpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione
PubChem CID798135
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Namemorpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione
SMILESCc1cc(C(=S)N2CCOCC2)c(C)n1C
InChIInChI=1S/C12H18N2OS/c1-9-8-11(10(2)13(9)3)12(16)14-4-6-15-7-5-14/h8H,4-7H2,1-3H3
InChIKeyGUALEFUSOGVQNR-UHFFFAOYSA-N
XLogP1.65
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione
CID 975910
(5-chloro-2-hydroxyphenyl)-morpholin-4-ylmethanethione
CID 135635018
2-(oxan-4-yloxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 61288603
(4-hydroxy-3,5-diiodophenyl)-morpholin-4-ylmethanethione
CID 137172624
(3,5-dichloro-2-methoxyphenyl)-morpholin-4-ylmethanethione
CID 3274273
(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 110691230
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
(4-methylpiperazin-4-ium-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 9183186
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146
(4,5-dichloro-1-methylimidazol-2-yl)-morpholin-4-ylmethanethione
CID 14666373
ethane;1-morpholin-4-ylethanethione
CID 142226083
(2-chlorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802824

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione?
The IUPAC name of morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione (CID 798135) is morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione.
What is the SMILES notation for morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione?
The canonical SMILES for morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione is Cc1cc(C(=S)N2CCOCC2)c(C)n1C.
What is the InChIKey of morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione?
The InChIKey is GUALEFUSOGVQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-8-11(10(2)13(9)3)12(16)14-4-6-15-7-5-14/h8H,4-7H2,1-3H3.
What are the key properties of morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione?
morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione has a molecular weight of 238.36 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(1,2,5-trimethylpyrrol-3-yl)methanethione is sourced from PubChem (CID 798135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).