ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine

C12H20N2S — CID 143133916

IUPACethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine
SMILESCC.CSc1cnc(C2(C)CC2)cc1N
InChIInChI=1S/C10H14N2S.C2H6/c1-10(3-4-10)9-5-7(11)8(13-2)6-12-9;1-2/h5-6H,3-4H2,1-2H3,(H2,11,12);1-2H3
InChIKeyNGSFYXADQKMGNV-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.46
Rot. Bonds2

About ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine

ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine (PubChem CID 143133916) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine.

Molecular Properties

Compound Nameethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine
PubChem CID143133916
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Nameethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine
SMILESCC.CSc1cnc(C2(C)CC2)cc1N
InChIInChI=1S/C10H14N2S.C2H6/c1-10(3-4-10)9-5-7(11)8(13-2)6-12-9;1-2/h5-6H,3-4H2,1-2H3,(H2,11,12);1-2H3
InChIKeyNGSFYXADQKMGNV-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine?
The IUPAC name of ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine (CID 143133916) is ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine.
What is the SMILES notation for ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine?
The canonical SMILES for ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine is CC.CSc1cnc(C2(C)CC2)cc1N.
What is the InChIKey of ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine?
The InChIKey is NGSFYXADQKMGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S.C2H6/c1-10(3-4-10)9-5-7(11)8(13-2)6-12-9;1-2/h5-6H,3-4H2,1-2H3,(H2,11,12);1-2H3.
What are the key properties of ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine?
ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine has a molecular weight of 224.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-methylcyclopropyl)-5-methylsulfanylpyridin-4-amine is sourced from PubChem (CID 143133916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).