(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone

C14H21N3OS — CID 82908881

IUPAC(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone
SMILESCc1ccc2n1CCN(C(=O)C1CSCCN1)C2C
InChIInChI=1S/C14H21N3OS/c1-10-3-4-13-11(2)17(7-6-16(10)13)14(18)12-9-19-8-5-15-12/h3-4,11-12,15H,5-9H2,1-2H3
InChIKeyIELYKDHZABRBKE-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.40
Rot. Bonds1

About (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone

(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone (PubChem CID 82908881) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone
PubChem CID82908881
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone
SMILESCc1ccc2n1CCN(C(=O)C1CSCCN1)C2C
InChIInChI=1S/C14H21N3OS/c1-10-3-4-13-11(2)17(7-6-16(10)13)14(18)12-9-19-8-5-15-12/h3-4,11-12,15H,5-9H2,1-2H3
InChIKeyIELYKDHZABRBKE-UHFFFAOYSA-N
XLogP1.40
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone (CID 82908881) is (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone is Cc1ccc2n1CCN(C(=O)C1CSCCN1)C2C.
What is the InChIKey of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone?
The InChIKey is IELYKDHZABRBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-3-4-13-11(2)17(7-6-16(10)13)14(18)12-9-19-8-5-15-12/h3-4,11-12,15H,5-9H2,1-2H3.
What are the key properties of (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone?
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone has a molecular weight of 279.41 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 82908881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).