N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide

C16H24N2O4S — CID 95554661

IUPACN-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide
SMILESC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O4S/c1-13(16(19)18-11-5-4-6-12-18)22-15-9-7-14(8-10-15)17(2)23(3,20)21/h7-10,13H,4-6,11-12H2,1-3H3/t13-/m1/s1
InChIKeyLZQBXRJCULNGBO-CYBMUJFWSA-N
MW340.44 g/mol
LogP1.86
Rot. Bonds5

About N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide

N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide (PubChem CID 95554661) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide
PubChem CID95554661
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide
SMILESC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O4S/c1-13(16(19)18-11-5-4-6-12-18)22-15-9-7-14(8-10-15)17(2)23(3,20)21/h7-10,13H,4-6,11-12H2,1-3H3/t13-/m1/s1
InChIKeyLZQBXRJCULNGBO-CYBMUJFWSA-N
XLogP1.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide
CID 56922571
N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
CID 133202386
N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
CID 133261924
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100677106
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547
2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 60906848
(2S)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566102

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide (CID 95554661) is N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide is C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCCC1.
What is the InChIKey of N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide?
The InChIKey is LZQBXRJCULNGBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-13(16(19)18-11-5-4-6-12-18)22-15-9-7-14(8-10-15)17(2)23(3,20)21/h7-10,13H,4-6,11-12H2,1-3H3/t13-/m1/s1.
What are the key properties of N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide?
N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide is sourced from PubChem (CID 95554661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).