ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one

C14H29N3O2S — CID 171810917

IUPACethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one
SMILESCC.CC.CC1=CNNC(S(C)=O)=C1.O=C1CCCN1
InChIInChI=1S/C6H10N2OS.C4H7NO.2C2H6/c1-5-3-6(10(2)9)8-7-4-5;6-4-2-1-3-5-4;2*1-2/h3-4,7-8H,1-2H3;1-3H2,(H,5,6);2*1-2H3
InChIKeyOOKIYOMVUPQQTA-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.17
Rot. Bonds1

About ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one

ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one (PubChem CID 171810917) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one
PubChem CID171810917
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Nameethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one
SMILESCC.CC.CC1=CNNC(S(C)=O)=C1.O=C1CCCN1
InChIInChI=1S/C6H10N2OS.C4H7NO.2C2H6/c1-5-3-6(10(2)9)8-7-4-5;6-4-2-1-3-5-4;2*1-2/h3-4,7-8H,1-2H3;1-3H2,(H,5,6);2*1-2H3
InChIKeyOOKIYOMVUPQQTA-UHFFFAOYSA-N
XLogP2.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one?
The IUPAC name of ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one (CID 171810917) is ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one.
What is the SMILES notation for ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one?
The canonical SMILES for ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one is CC.CC.CC1=CNNC(S(C)=O)=C1.O=C1CCCN1.
What is the InChIKey of ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one?
The InChIKey is OOKIYOMVUPQQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS.C4H7NO.2C2H6/c1-5-3-6(10(2)9)8-7-4-5;6-4-2-1-3-5-4;2*1-2/h3-4,7-8H,1-2H3;1-3H2,(H,5,6);2*1-2H3.
What are the key properties of ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one?
ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one has a molecular weight of 303.47 g/mol, XLogP of 2.17, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-methylsulfinyl-1,2-dihydropyridazine;pyrrolidin-2-one is sourced from PubChem (CID 171810917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).