6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile

C11H15N3S — CID 115659032

IUPAC6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile
SMILESCCSCC(C)Nc1ccc(C#N)cn1
InChIInChI=1S/C11H15N3S/c1-3-15-8-9(2)14-11-5-4-10(6-12)7-13-11/h4-5,7,9H,3,8H2,1-2H3,(H,13,14)
InChIKeyGGYAHDGHUYHHRA-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.51
Rot. Bonds5

About 6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile

6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 115659032) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile
PubChem CID115659032
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile
SMILESCCSCC(C)Nc1ccc(C#N)cn1
InChIInChI=1S/C11H15N3S/c1-3-15-8-9(2)14-11-5-4-10(6-12)7-13-11/h4-5,7,9H,3,8H2,1-2H3,(H,13,14)
InChIKeyGGYAHDGHUYHHRA-UHFFFAOYSA-N
XLogP2.51
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
6-[5-(diethylamino)pentan-2-ylamino]pyridine-3-carbonitrile
CID 24692421
ethyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133363432
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
CID 115643963
6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
CID 51681205
6-(hexan-3-ylamino)pyridine-3-carbonitrile
CID 62046801
6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile
CID 47357833
6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 113351620
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile
CID 43176199
benzyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133413172

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile (CID 115659032) is 6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile is CCSCC(C)Nc1ccc(C#N)cn1.
What is the InChIKey of 6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is GGYAHDGHUYHHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-15-8-9(2)14-11-5-4-10(6-12)7-13-11/h4-5,7,9H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile?
6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 221.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 115659032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).