2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine

C11H19NOS2 — CID 103345406

IUPAC2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
SMILESCC1SCC(C(N)C2=CCCO2)SC1C
InChIInChI=1S/C11H19NOS2/c1-7-8(2)15-10(6-14-7)11(12)9-4-3-5-13-9/h4,7-8,10-11H,3,5-6,12H2,1-2H3
InChIKeyCEOHZSYJPKZNKM-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.24
Rot. Bonds2

About 2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine

2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine (PubChem CID 103345406) has the molecular formula C11H19NOS2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
PubChem CID103345406
Molecular FormulaC11H19NOS2
Molecular Weight245.41 g/mol
Exact Mass245.09
IUPAC Name2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
SMILESCC1SCC(C(N)C2=CCCO2)SC1C
InChIInChI=1S/C11H19NOS2/c1-7-8(2)15-10(6-14-7)11(12)9-4-3-5-13-9/h4,7-8,10-11H,3,5-6,12H2,1-2H3
InChIKeyCEOHZSYJPKZNKM-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine?
The IUPAC name of 2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine (CID 103345406) is 2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine is CC1SCC(C(N)C2=CCCO2)SC1C.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine?
The InChIKey is CEOHZSYJPKZNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS2/c1-7-8(2)15-10(6-14-7)11(12)9-4-3-5-13-9/h4,7-8,10-11H,3,5-6,12H2,1-2H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine?
2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine has a molecular weight of 245.41 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine is sourced from PubChem (CID 103345406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).