5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile

C10H13N3OS — CID 115680961

IUPAC5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile
SMILESCCS(=O)CCNc1ccc(C#N)nc1
InChIInChI=1S/C10H13N3OS/c1-2-15(14)6-5-12-10-4-3-9(7-11)13-8-10/h3-4,8,12H,2,5-6H2,1H3
InChIKeyAXZIZBGJFQYJJI-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.13
Rot. Bonds5

About 5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile

5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile (PubChem CID 115680961) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile
PubChem CID115680961
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile
SMILESCCS(=O)CCNc1ccc(C#N)nc1
InChIInChI=1S/C10H13N3OS/c1-2-15(14)6-5-12-10-4-3-9(7-11)13-8-10/h3-4,8,12H,2,5-6H2,1H3
InChIKeyAXZIZBGJFQYJJI-UHFFFAOYSA-N
XLogP1.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
3-(2-ethylsulfinylethylamino)benzonitrile
CID 102817421
5-(3-ethoxypropylamino)pyridine-2-carbonitrile
CID 79840049
5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
CID 115764283
4-(2-ethylsulfinylethylamino)-2-(trifluoromethyl)benzonitrile
CID 115631457
5-(2-ethylsulfinylethylamino)-2-(trifluoromethyl)benzonitrile
CID 104843765
5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
CID 114617316
5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
CID 106328906
5-[2-[cyclopentyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 115487694
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile (CID 115680961) is 5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile is CCS(=O)CCNc1ccc(C#N)nc1.
What is the InChIKey of 5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile?
The InChIKey is AXZIZBGJFQYJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-15(14)6-5-12-10-4-3-9(7-11)13-8-10/h3-4,8,12H,2,5-6H2,1H3.
What are the key properties of 5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile?
5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile has a molecular weight of 223.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 115680961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).