(2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone

C19H22N4O2S — CID 51597622

IUPAC(2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone
SMILESCSc1ncc(C(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)cn1
InChIInChI=1S/C19H22N4O2S/c1-26-19-20-10-14(11-21-19)18(24)23-13-15(12-22-6-8-25-9-7-22)16-4-2-3-5-17(16)23/h2-5,10-11,15H,6-9,12-13H2,1H3/t15-/m0/s1
InChIKeyUSTYXKBBRCPLCK-HNNXBMFYSA-N
MW370.48 g/mol
LogP2.27
Rot. Bonds4

About (2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone

(2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 51597622) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone
PubChem CID51597622
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name(2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone
SMILESCSc1ncc(C(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)cn1
InChIInChI=1S/C19H22N4O2S/c1-26-19-20-10-14(11-21-19)18(24)23-13-15(12-22-6-8-25-9-7-22)16-4-2-3-5-17(16)23/h2-5,10-11,15H,6-9,12-13H2,1H3/t15-/m0/s1
InChIKeyUSTYXKBBRCPLCK-HNNXBMFYSA-N
XLogP2.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone (CID 51597622) is (2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone is CSc1ncc(C(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)cn1.
What is the InChIKey of (2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is USTYXKBBRCPLCK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-26-19-20-10-14(11-21-19)18(24)23-13-15(12-22-6-8-25-9-7-22)16-4-2-3-5-17(16)23/h2-5,10-11,15H,6-9,12-13H2,1H3/t15-/m0/s1.
What are the key properties of (2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone?
(2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 370.48 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylpyrimidin-5-yl)-[(3S)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 51597622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).