4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide

C15H20N2O2S — CID 71993594

IUPAC4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide
SMILESCC(C)C1CN(C(=O)c2ccc(C(N)=O)cc2)CCS1
InChIInChI=1S/C15H20N2O2S/c1-10(2)13-9-17(7-8-20-13)15(19)12-5-3-11(4-6-12)14(16)18/h3-6,10,13H,7-9H2,1-2H3,(H2,16,18)
InChIKeyPUVNTOKMQHKZKT-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.00
Rot. Bonds3

About 4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide

4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide (PubChem CID 71993594) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide.

Molecular Properties

Compound Name4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide
PubChem CID71993594
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide
SMILESCC(C)C1CN(C(=O)c2ccc(C(N)=O)cc2)CCS1
InChIInChI=1S/C15H20N2O2S/c1-10(2)13-9-17(7-8-20-13)15(19)12-5-3-11(4-6-12)14(16)18/h3-6,10,13H,7-9H2,1-2H3,(H2,16,18)
InChIKeyPUVNTOKMQHKZKT-UHFFFAOYSA-N
XLogP2.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-[(2R)-2-propan-2-ylthiomorpholine-4-carbonyl]benzenesulfonamide
CID 97218375
2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
CID 120594140
(2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 71993613
2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride
CID 119342682
(2-propan-2-ylthiomorpholin-4-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone
CID 71993602
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
4-(3-propylpiperidine-1-carbonyl)benzamide
CID 119163399
piperidin-4-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone
CID 119342685

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide?
The IUPAC name of 4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide (CID 71993594) is 4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide.
What is the SMILES notation for 4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide?
The canonical SMILES for 4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide is CC(C)C1CN(C(=O)c2ccc(C(N)=O)cc2)CCS1.
What is the InChIKey of 4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide?
The InChIKey is PUVNTOKMQHKZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(2)13-9-17(7-8-20-13)15(19)12-5-3-11(4-6-12)14(16)18/h3-6,10,13H,7-9H2,1-2H3,(H2,16,18).
What are the key properties of 4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide?
4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide has a molecular weight of 292.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylthiomorpholine-4-carbonyl)benzamide is sourced from PubChem (CID 71993594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).