(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone

C19H24F2N2OS — CID 18915064

IUPAC(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone
SMILESO=C(C1CCc2cc(F)c(F)cc21)N1CCSCC1CN1CCCC1
InChIInChI=1S/C19H24F2N2OS/c20-17-9-13-3-4-15(16(13)10-18(17)21)19(24)23-7-8-25-12-14(23)11-22-5-1-2-6-22/h9-10,14-15H,1-8,11-12H2
InChIKeyPGGDXKOAXLIXFY-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.03
Rot. Bonds3

About (5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone

(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone (PubChem CID 18915064) has the molecular formula C19H24F2N2OS and a molecular weight of 366.48 g/mol. Its IUPAC name is (5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone
PubChem CID18915064
Molecular FormulaC19H24F2N2OS
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone
SMILESO=C(C1CCc2cc(F)c(F)cc21)N1CCSCC1CN1CCCC1
InChIInChI=1S/C19H24F2N2OS/c20-17-9-13-3-4-15(16(13)10-18(17)21)19(24)23-7-8-25-12-14(23)11-22-5-1-2-6-22/h9-10,14-15H,1-8,11-12H2
InChIKeyPGGDXKOAXLIXFY-UHFFFAOYSA-N
XLogP3.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Z-321
CID 9798234
3-Indan-2-yl-1-[(R)-4-(pyrrolidine-1-carbonyl)-thiazolidin-3-yl]-propan-1-one
CID 10406121
Indan-2-yl-[(R)-4-(pyrrolidine-1-carbonyl)-thiazolidin-3-yl]-methanone
CID 10426787
4-Indan-2-yl-1-[(R)-4-(pyrrolidine-1-carbonyl)-thiazolidin-3-yl]-butan-1-one
CID 44305623
(5-methyl-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone
CID 18915119
3-[3-(Pyrrolidin-1-ylmethyl)thiomorpholine-4-carbonyl]-6-(trifluoromethyl)-2,3-dihydroinden-1-one
CID 18914969
(6,7-Difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone
CID 18914974
5,6-Difluoro-3-[3-(piperidin-1-ylmethyl)thiomorpholine-4-carbonyl]-2,3-dihydroinden-1-one
CID 18915082
5,6-Difluoro-3-[3-(pyrrolidin-1-ylmethyl)thiomorpholine-4-carbonyl]-2,3-dihydroinden-1-one
CID 18915104
(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(piperidin-1-ylmethyl)thiomorpholin-4-yl]methanone
CID 18915146
7-[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
CID 123191601
3-amino-1-[8-(aminomethyl)-1,4-dithia-7-azaspiro[4.4]nonan-7-yl]-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one
CID 123384436

Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone?
The IUPAC name of (5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone (CID 18915064) is (5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone.
What is the SMILES notation for (5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone?
The canonical SMILES for (5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone is O=C(C1CCc2cc(F)c(F)cc21)N1CCSCC1CN1CCCC1.
What is the InChIKey of (5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone?
The InChIKey is PGGDXKOAXLIXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2OS/c20-17-9-13-3-4-15(16(13)10-18(17)21)19(24)23-7-8-25-12-14(23)11-22-5-1-2-6-22/h9-10,14-15H,1-8,11-12H2.
What are the key properties of (5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone?
(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone has a molecular weight of 366.48 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]methanone is sourced from PubChem (CID 18915064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).