5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile

C10H13N3OS — CID 115764283

IUPAC5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
SMILESCC(CNc1ccc(C#N)nc1)S(C)=O
InChIInChI=1S/C10H13N3OS/c1-8(15(2)14)6-12-10-4-3-9(5-11)13-7-10/h3-4,7-8,12H,6H2,1-2H3
InChIKeyZJTHMKKHGFUEJC-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.13
Rot. Bonds4

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

5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile (PubChem CID 115764283) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
PubChem CID115764283
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
SMILESCC(CNc1ccc(C#N)nc1)S(C)=O
InChIInChI=1S/C10H13N3OS/c1-8(15(2)14)6-12-10-4-3-9(5-11)13-7-10/h3-4,7-8,12H,6H2,1-2H3
InChIKeyZJTHMKKHGFUEJC-UHFFFAOYSA-N
XLogP1.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115763709
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884
5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile
CID 133334959
5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile
CID 103736448
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile
CID 115680961
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile
CID 97119021
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
CID 79839810
5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile
CID 103469139
3-[(6-cyano-3-pyridinyl)amino]butanamide
CID 115685029
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile (CID 115764283) is 5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile is CC(CNc1ccc(C#N)nc1)S(C)=O.
What is the InChIKey of 5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile?
The InChIKey is ZJTHMKKHGFUEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-8(15(2)14)6-12-10-4-3-9(5-11)13-7-10/h3-4,7-8,12H,6H2,1-2H3.
What are the key properties of 5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile?
5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile has a molecular weight of 223.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 115764283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).