(1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione

C10H14N2OS — CID 951953

IUPAC(1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione
SMILESCn1cccc1C(=S)N1CCOCC1
InChIInChI=1S/C10H14N2OS/c1-11-4-2-3-9(11)10(14)12-5-7-13-8-6-12/h2-4H,5-8H2,1H3
InChIKeyCGJXOAWRNIOMAE-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.03
Rot. Bonds1

About (1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione

(1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione (PubChem CID 951953) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione
PubChem CID951953
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione
SMILESCn1cccc1C(=S)N1CCOCC1
InChIInChI=1S/C10H14N2OS/c1-11-4-2-3-9(11)10(14)12-5-7-13-8-6-12/h2-4H,5-8H2,1H3
InChIKeyCGJXOAWRNIOMAE-UHFFFAOYSA-N
XLogP1.03
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione?
The IUPAC name of (1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione (CID 951953) is (1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione.
What is the SMILES notation for (1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione?
The canonical SMILES for (1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione is Cn1cccc1C(=S)N1CCOCC1.
What is the InChIKey of (1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione?
The InChIKey is CGJXOAWRNIOMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-11-4-2-3-9(11)10(14)12-5-7-13-8-6-12/h2-4H,5-8H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione?
(1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione has a molecular weight of 210.30 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-morpholin-4-ylmethanethione is sourced from PubChem (CID 951953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).