2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile

C10H13N3O2S — CID 79858347

IUPAC2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile
SMILESCN(CCS(C)(=O)=O)c1cc(C#N)ccn1
InChIInChI=1S/C10H13N3O2S/c1-13(5-6-16(2,14)15)10-7-9(8-11)3-4-12-10/h3-4,7H,5-6H2,1-2H3
InChIKeyJUTRDCSUNTTYNC-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.43
Rot. Bonds4

About 2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile

2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile (PubChem CID 79858347) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile
PubChem CID79858347
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile
SMILESCN(CCS(C)(=O)=O)c1cc(C#N)ccn1
InChIInChI=1S/C10H13N3O2S/c1-13(5-6-16(2,14)15)10-7-9(8-11)3-4-12-10/h3-4,7H,5-6H2,1-2H3
InChIKeyJUTRDCSUNTTYNC-UHFFFAOYSA-N
XLogP0.43
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-[methyl(2-methylsulfonylethyl)amino]benzonitrile
CID 79850532
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692
4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 78930007
tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate
CID 121426940
2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 43273063
N-butyl-N-(4-cyano-2-pyridinyl)formamide
CID 144779744
2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide
CID 145106409
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 71641983
2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride
CID 71641982

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile (CID 79858347) is 2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile is CN(CCS(C)(=O)=O)c1cc(C#N)ccn1.
What is the InChIKey of 2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile?
The InChIKey is JUTRDCSUNTTYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-13(5-6-16(2,14)15)10-7-9(8-11)3-4-12-10/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile?
2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile has a molecular weight of 239.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 79858347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).