morpholin-4-yl(1H-pyrrol-2-yl)methanethione

C9H12N2OS — CID 851000

IUPACmorpholin-4-yl(1H-pyrrol-2-yl)methanethione
SMILESS=C(c1ccc[nH]1)N1CCOCC1
InChIInChI=1S/C9H12N2OS/c13-9(8-2-1-3-10-8)11-4-6-12-7-5-11/h1-3,10H,4-7H2
InChIKeyITFDKHFUOABTFE-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.02
Rot. Bonds1

About morpholin-4-yl(1H-pyrrol-2-yl)methanethione

morpholin-4-yl(1H-pyrrol-2-yl)methanethione (PubChem CID 851000) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is morpholin-4-yl(1H-pyrrol-2-yl)methanethione.

Molecular Properties

Compound Namemorpholin-4-yl(1H-pyrrol-2-yl)methanethione
PubChem CID851000
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Namemorpholin-4-yl(1H-pyrrol-2-yl)methanethione
SMILESS=C(c1ccc[nH]1)N1CCOCC1
InChIInChI=1S/C9H12N2OS/c13-9(8-2-1-3-10-8)11-4-6-12-7-5-11/h1-3,10H,4-7H2
InChIKeyITFDKHFUOABTFE-UHFFFAOYSA-N
XLogP1.02
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
4-[(1-methyl-1H-pyrrol-2-yl)carbonothioyl]morpholine
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ethyl N-(1H-pyrrole-2-carbothioyl)carbamate
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1H-Pyrrole-2-carbothioamide
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1-methyl-4-(1H-pyrrol-2-ylmethyl)piperazine
CID 677258
4-[(1H-pyrrol-2-yl)methyl]morpholine
CID 66636594
(2-Methoxyethyl)((pyridin-2-yl)methyl)amine
CID 4723821
Morpholin-4-yl(pyridin-2-yl)methanethione
CID 292697
3-[2-(Morpholin-4-ylmethyl)pyrrol-1-yl]propanenitrile
CID 2814296
3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 60662751
11-methyl-3-(1H-pyrrol-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97502546
N,N-dimethyl-2-[3-(1H-pyrrol-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]ethanamine
CID 97502550

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl(1H-pyrrol-2-yl)methanethione?
The IUPAC name of morpholin-4-yl(1H-pyrrol-2-yl)methanethione (CID 851000) is morpholin-4-yl(1H-pyrrol-2-yl)methanethione.
What is the SMILES notation for morpholin-4-yl(1H-pyrrol-2-yl)methanethione?
The canonical SMILES for morpholin-4-yl(1H-pyrrol-2-yl)methanethione is S=C(c1ccc[nH]1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl(1H-pyrrol-2-yl)methanethione?
The InChIKey is ITFDKHFUOABTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c13-9(8-2-1-3-10-8)11-4-6-12-7-5-11/h1-3,10H,4-7H2.
What are the key properties of morpholin-4-yl(1H-pyrrol-2-yl)methanethione?
morpholin-4-yl(1H-pyrrol-2-yl)methanethione has a molecular weight of 196.28 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl(1H-pyrrol-2-yl)methanethione is sourced from PubChem (CID 851000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).