N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide

C11H17N3O4S — CID 146412088

IUPACN-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide
SMILESCCOc1cc(/C(N)=C/NS(C)(=O)=O)ncc1OC
InChIInChI=1S/C11H17N3O4S/c1-4-18-10-5-9(13-7-11(10)17-2)8(12)6-14-19(3,15)16/h5-7,14H,4,12H2,1-3H3/b8-6-
InChIKeyVZZHDPUVHTYCQS-VURMDHGXSA-N
MW287.34 g/mol
LogP0.30
Rot. Bonds6

About N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide

N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide (PubChem CID 146412088) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide
PubChem CID146412088
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC NameN-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide
SMILESCCOc1cc(/C(N)=C/NS(C)(=O)=O)ncc1OC
InChIInChI=1S/C11H17N3O4S/c1-4-18-10-5-9(13-7-11(10)17-2)8(12)6-14-19(3,15)16/h5-7,14H,4,12H2,1-3H3/b8-6-
InChIKeyVZZHDPUVHTYCQS-VURMDHGXSA-N
XLogP0.30
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethoxy-N-hydroxy-4-methoxypyridine-2-carboxamide
CID 175442250
5-ethoxy-N'-hydroxy-4-methoxypyridine-2-carboximidamide
CID 155071926
ethanol;methyl 5-ethoxy-4-methoxypyridine-2-carboxylate;methyl 5-hydroxy-4-methoxypyridine-2-carboxylate
CID 159885056
N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide
CID 66838352
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
4,5-dimethoxypyridine-2-carbaldehyde;propane
CID 143811555
2,4-bis(3-ethoxy-4-methoxyphenyl)-1,5-bis(methylsulfonyl)pentan-3-one
CID 154400068
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(methylsulfonylmethyl)cyclohexan-1-amine
CID 136544926
3-ethoxy-4-methoxy-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629532
(1S)-1-deuterio-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
CID 90049002
1-(3-ethoxy-4-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 142700262
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide?
The IUPAC name of N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide (CID 146412088) is N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide.
What is the SMILES notation for N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide?
The canonical SMILES for N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide is CCOc1cc(/C(N)=C/NS(C)(=O)=O)ncc1OC.
What is the InChIKey of N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide?
The InChIKey is VZZHDPUVHTYCQS-VURMDHGXSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-4-18-10-5-9(13-7-11(10)17-2)8(12)6-14-19(3,15)16/h5-7,14H,4,12H2,1-3H3/b8-6-.
What are the key properties of N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide?
N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-2-(4-ethoxy-5-methoxy-2-pyridinyl)ethenyl]methanesulfonamide is sourced from PubChem (CID 146412088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).