2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile

C17H24N4O4S2 — CID 59847311

IUPAC2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile
SMILESC=CS(=O)(=O)CCN(C)c1cc(C)c(C#N)c(N(C)CCS(=O)(=O)C=C)n1
InChIInChI=1S/C17H24N4O4S2/c1-6-26(22,23)10-8-20(4)16-12-14(3)15(13-18)17(19-16)21(5)9-11-27(24,25)7-2/h6-7,12H,1-2,8-11H2,3-5H3
InChIKeyIBVWRCAJWPMRKX-UHFFFAOYSA-N
MW412.54 g/mol
LogP1.25
Rot. Bonds10

About 2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile

2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile (PubChem CID 59847311) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile
PubChem CID59847311
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC Name2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile
SMILESC=CS(=O)(=O)CCN(C)c1cc(C)c(C#N)c(N(C)CCS(=O)(=O)C=C)n1
InChIInChI=1S/C17H24N4O4S2/c1-6-26(22,23)10-8-20(4)16-12-14(3)15(13-18)17(19-16)21(5)9-11-27(24,25)7-2/h6-7,12H,1-2,8-11H2,3-5H3
InChIKeyIBVWRCAJWPMRKX-UHFFFAOYSA-N
XLogP1.25
TPSA111.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile (CID 59847311) is 2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile is C=CS(=O)(=O)CCN(C)c1cc(C)c(C#N)c(N(C)CCS(=O)(=O)C=C)n1.
What is the InChIKey of 2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile?
The InChIKey is IBVWRCAJWPMRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c1-6-26(22,23)10-8-20(4)16-12-14(3)15(13-18)17(19-16)21(5)9-11-27(24,25)7-2/h6-7,12H,1-2,8-11H2,3-5H3.
What are the key properties of 2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile?
2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile has a molecular weight of 412.54 g/mol, XLogP of 1.25, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-ethenylsulfonylethyl(methyl)amino]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 59847311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).