2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide

C17H24N2O3S — CID 97072978

IUPAC2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
SMILESCc1ccccc1[S@](=O)CC(=O)N[C@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C17H24N2O3S/c1-13-8-4-5-9-15(13)23(22)12-16(20)18-14(2)17(21)19-10-6-3-7-11-19/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,18,20)/t14-,23-/m1/s1
InChIKeyKLYYMWWAXLXUCI-QKFKETGDSA-N
MW336.46 g/mol
LogP1.62
Rot. Bonds5

About 2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide

2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide (PubChem CID 97072978) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
PubChem CID97072978
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
SMILESCc1ccccc1[S@](=O)CC(=O)N[C@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C17H24N2O3S/c1-13-8-4-5-9-15(13)23(22)12-16(20)18-14(2)17(21)19-10-6-3-7-11-19/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,18,20)/t14-,23-/m1/s1
InChIKeyKLYYMWWAXLXUCI-QKFKETGDSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of 2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide (CID 97072978) is 2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide is Cc1ccccc1[S@](=O)CC(=O)N[C@H](C)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The InChIKey is KLYYMWWAXLXUCI-QKFKETGDSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13-8-4-5-9-15(13)23(22)12-16(20)18-14(2)17(21)19-10-6-3-7-11-19/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,18,20)/t14-,23-/m1/s1.
What are the key properties of 2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide has a molecular weight of 336.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 97072978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).