N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide

C15H18N2O3S — CID 107031624

IUPACN-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide
SMILESCN1C(=O)CCC(NC(=O)C(S)Cc2ccccc2)C1=O
InChIInChI=1S/C15H18N2O3S/c1-17-13(18)8-7-11(15(17)20)16-14(19)12(21)9-10-5-3-2-4-6-10/h2-6,11-12,21H,7-9H2,1H3,(H,16,19)
InChIKeyFVWKLKAWGREVMR-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.79
Rot. Bonds4

About N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide

N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107031624) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107031624
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide
SMILESCN1C(=O)CCC(NC(=O)C(S)Cc2ccccc2)C1=O
InChIInChI=1S/C15H18N2O3S/c1-17-13(18)8-7-11(15(17)20)16-14(19)12(21)9-10-5-3-2-4-6-10/h2-6,11-12,21H,7-9H2,1H3,(H,16,19)
InChIKeyFVWKLKAWGREVMR-UHFFFAOYSA-N
XLogP0.79
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(3S,7R)-7-methyl-2-oxo-3-[[(2R)-3-phenyl-2-sulfanylpropanoyl]amino]azepan-1-yl]acetic acid
CID 89122038
3-[(3S)-2-oxo-3-[[(2R)-3-phenyl-2-sulfanylpropanoyl]amino]azepan-1-yl]propanoic acid
CID 57132142
2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
(2S)-N-[(4S,7R,10aS)-7-methyl-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepin-4-yl]-3-phenyl-2-sulfanylpropanamide
CID 59083005
(4S,7S,9aS)-5-oxo-4-[(3-phenyl-2-sulfanylpropanoyl)amino]-3,4,7,8,9,9a-hexahydro-2H-pyrrolo[2,1-b][1,3]thiazepine-7-carboxylic acid
CID 56627692
2-[(3R,7S)-7-(cyclopropylmethyl)-2-oxo-3-[[(2R)-3-phenyl-2-sulfanylpropanoyl]amino]azepan-1-yl]acetic acid
CID 57175576
(2S)-N-[(4S,10aS)-7-methyl-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepin-4-yl]-3-phenyl-2-sulfanylpropanamide;carbon dioxide
CID 157173620
2-[(3R,5aR)-2-oxo-3-[[(2R)-3-phenyl-2-sulfanylpropanoyl]amino]-4,5,5a,6,7,8-hexahydro-3H-pyrrolo[1,2-b]diazepin-1-yl]acetic acid
CID 57211939
N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107036327
N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
CID 107030989
N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107023317
2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114344484

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide (CID 107031624) is N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide is CN1C(=O)CCC(NC(=O)C(S)Cc2ccccc2)C1=O.
What is the InChIKey of N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is FVWKLKAWGREVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-17-13(18)8-7-11(15(17)20)16-14(19)12(21)9-10-5-3-2-4-6-10/h2-6,11-12,21H,7-9H2,1H3,(H,16,19).
What are the key properties of N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide?
N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 306.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107031624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).