N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine

C14H25NOS2 — CID 103346139

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CSC(C)C(C)S1
InChIInChI=1S/C14H25NOS2/c1-4-15-14(12-7-5-6-8-16-12)13-9-17-10(2)11(3)18-13/h7,10-11,13-15H,4-6,8-9H2,1-3H3
InChIKeyZQZJLJIKDZEEFS-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.28
Rot. Bonds4

About N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine (PubChem CID 103346139) has the molecular formula C14H25NOS2 and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
PubChem CID103346139
Molecular FormulaC14H25NOS2
Molecular Weight287.49 g/mol
Exact Mass287.14
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CSC(C)C(C)S1
InChIInChI=1S/C14H25NOS2/c1-4-15-14(12-7-5-6-8-16-12)13-9-17-10(2)11(3)18-13/h7,10-11,13-15H,4-6,8-9H2,1-3H3
InChIKeyZQZJLJIKDZEEFS-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-dihydro-1-benzofuran-7-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346208
2,3-dihydrofuran-5-yl-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
CID 103345406
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(4-fluorophenyl)methyl]ethanamine
CID 103346193
N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine
CID 102649116
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 103346121
N-[cyclobutyl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346149
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 103346172
N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 103346089
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylbutan-1-amine
CID 103346032
N-[(4-bromo-1-methylpyrazol-5-yl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346236
N-[(4-chloro-1-methylpyrazol-5-yl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346233

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine (CID 103346139) is N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine is CCNC(C1=CCCCO1)C1CSC(C)C(C)S1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine?
The InChIKey is ZQZJLJIKDZEEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS2/c1-4-15-14(12-7-5-6-8-16-12)13-9-17-10(2)11(3)18-13/h7,10-11,13-15H,4-6,8-9H2,1-3H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine has a molecular weight of 287.49 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine is sourced from PubChem (CID 103346139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).