(E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine

C14H25NS — CID 130217315

IUPAC(E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine
SMILESCN/C(C)=C(/C1=CC(C)CC(C)S1)C(C)C
InChIInChI=1S/C14H25NS/c1-9(2)14(12(5)15-6)13-8-10(3)7-11(4)16-13/h8-11,15H,7H2,1-6H3/b14-12+
InChIKeyPWFGZHYIEHNQML-WYMLVPIESA-N
MW239.43 g/mol
LogP4.18
Rot. Bonds3

About (E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine

(E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine (PubChem CID 130217315) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is (E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine.

Molecular Properties

Compound Name(E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine
PubChem CID130217315
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name(E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine
SMILESCN/C(C)=C(/C1=CC(C)CC(C)S1)C(C)C
InChIInChI=1S/C14H25NS/c1-9(2)14(12(5)15-6)13-8-10(3)7-11(4)16-13/h8-11,15H,7H2,1-6H3/b14-12+
InChIKeyPWFGZHYIEHNQML-WYMLVPIESA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine?
The IUPAC name of (E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine (CID 130217315) is (E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine.
What is the SMILES notation for (E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine?
The canonical SMILES for (E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine is CN/C(C)=C(/C1=CC(C)CC(C)S1)C(C)C.
What is the InChIKey of (E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine?
The InChIKey is PWFGZHYIEHNQML-WYMLVPIESA-N. The full InChI is InChI=1S/C14H25NS/c1-9(2)14(12(5)15-6)13-8-10(3)7-11(4)16-13/h8-11,15H,7H2,1-6H3/b14-12+.
What are the key properties of (E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine?
(E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine has a molecular weight of 239.43 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethyl-3,4-dihydro-2H-thiopyran-6-yl)-N,4-dimethylpent-2-en-2-amine is sourced from PubChem (CID 130217315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).