(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone

C15H20N2OS — CID 168513754

IUPAC(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccccc1N1CCCC1)N1CCSCC1
InChIInChI=1S/C15H20N2OS/c18-15(17-9-11-19-12-10-17)13-5-1-2-6-14(13)16-7-3-4-8-16/h1-2,5-6H,3-4,7-12H2
InChIKeyOGXMCMBCDGINJG-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.48
Rot. Bonds2

About (2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone

(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone (PubChem CID 168513754) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is (2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone
PubChem CID168513754
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccccc1N1CCCC1)N1CCSCC1
InChIInChI=1S/C15H20N2OS/c18-15(17-9-11-19-12-10-17)13-5-1-2-6-14(13)16-7-3-4-8-16/h1-2,5-6H,3-4,7-12H2
InChIKeyOGXMCMBCDGINJG-UHFFFAOYSA-N
XLogP2.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
2-(1,4-thiazepane-4-carbonyl)benzoic acid
CID 61419510
thiomorpholin-4-yl-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 74234300
(5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(2-pyrrolidin-1-ylphenyl)methanone
CID 156607712
(2-chlorophenyl)-(1,3-thiazolidin-3-yl)methanone
CID 122331936
(2-pyrrolidin-1-ylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 68839610
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
2-pyrrolidin-1-ylbenzoyl chloride
CID 140507858
2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one
CID 28909109
2-(1,4-thiazepan-4-yl)benzenecarbothioamide
CID 61419535
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032

Frequently Asked Questions

What is the IUPAC name of (2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone (CID 168513754) is (2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone is O=C(c1ccccc1N1CCCC1)N1CCSCC1.
What is the InChIKey of (2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is OGXMCMBCDGINJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-15(17-9-11-19-12-10-17)13-5-1-2-6-14(13)16-7-3-4-8-16/h1-2,5-6H,3-4,7-12H2.
What are the key properties of (2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone?
(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 276.40 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 168513754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).