2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile

C10H12N2OS — CID 584415

IUPAC2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile
SMILESCC1(C)Cc2c(oc(N)c2C#N)CS1
InChIInChI=1S/C10H12N2OS/c1-10(2)3-6-7(4-11)9(12)13-8(6)5-14-10/h3,5,12H2,1-2H3
InChIKeyXVQNMGHMZSOWSJ-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.30
Rot. Bonds

About 2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile

2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile (PubChem CID 584415) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile
PubChem CID584415
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile
SMILESCC1(C)Cc2c(oc(N)c2C#N)CS1
InChIInChI=1S/C10H12N2OS/c1-10(2)3-6-7(4-11)9(12)13-8(6)5-14-10/h3,5,12H2,1-2H3
InChIKeyXVQNMGHMZSOWSJ-UHFFFAOYSA-N
XLogP2.30
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile?
The IUPAC name of 2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile (CID 584415) is 2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile.
What is the SMILES notation for 2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile?
The canonical SMILES for 2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile is CC1(C)Cc2c(oc(N)c2C#N)CS1.
What is the InChIKey of 2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile?
The InChIKey is XVQNMGHMZSOWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-10(2)3-6-7(4-11)9(12)13-8(6)5-14-10/h3,5,12H2,1-2H3.
What are the key properties of 2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile?
2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dimethyl-4,7-dihydrothiopyrano[3,4-b]furan-3-carbonitrile is sourced from PubChem (CID 584415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).