N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide

C17H22N2O2S — CID 96563370

IUPACN-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide
SMILESCCN([C@H](c1cccnc1)c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C17H22N2O2S/c1-5-19(22(4,20)21)17(15-7-6-8-18-12-15)16-10-13(2)9-14(3)11-16/h6-12,17H,5H2,1-4H3/t17-/m1/s1
InChIKeyOUICYSRDBBHMQB-QGZVFWFLSA-N
MW318.44 g/mol
LogP3.07
Rot. Bonds5

About N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide

N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide (PubChem CID 96563370) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide
PubChem CID96563370
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide
SMILESCCN([C@H](c1cccnc1)c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C17H22N2O2S/c1-5-19(22(4,20)21)17(15-7-6-8-18-12-15)16-10-13(2)9-14(3)11-16/h6-12,17H,5H2,1-4H3/t17-/m1/s1
InChIKeyOUICYSRDBBHMQB-QGZVFWFLSA-N
XLogP3.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-bromophenyl)-pyridin-3-ylmethyl]-N-ethylbenzenesulfonamide
CID 95788581
methyl 3-[ethyl-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]sulfamoyl]benzoate
CID 95788580
ethyl 4-[ethyl-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]sulfamoyl]benzoate
CID 95788575
N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide
CID 96529707
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide
CID 97099113
5-bromo-4-cyano-N-ethyl-2-fluoro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 124735617
N-methyl-1-(5-methyl-3-pyridinyl)-1-pyridin-3-ylmethanamine
CID 115374295
(2R)-N-ethyl-2-methoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide
CID 95624900
2-ethyl-5-methyl-N-[(1R)-1-pyridin-3-ylpropyl]pyrazole-3-sulfonamide
CID 125439730
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182
N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 115799186

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide (CID 96563370) is N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide is CCN([C@H](c1cccnc1)c1cc(C)cc(C)c1)S(C)(=O)=O.
What is the InChIKey of N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide?
The InChIKey is OUICYSRDBBHMQB-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-5-19(22(4,20)21)17(15-7-6-8-18-12-15)16-10-13(2)9-14(3)11-16/h6-12,17H,5H2,1-4H3/t17-/m1/s1.
What are the key properties of N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide?
N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 96563370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).