ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine

C11H18FNOS — CID 142603306

IUPACethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine
SMILESCC.CNCC1OCCc2sc(F)cc21
InChIInChI=1S/C9H12FNOS.C2H6/c1-11-5-7-6-4-9(10)13-8(6)2-3-12-7;1-2/h4,7,11H,2-3,5H2,1H3;1-2H3
InChIKeyAWQJNLRUCQAOCN-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.75
Rot. Bonds2

About ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine

ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine (PubChem CID 142603306) has the molecular formula C11H18FNOS and a molecular weight of 231.34 g/mol. Its IUPAC name is ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine
PubChem CID142603306
Molecular FormulaC11H18FNOS
Molecular Weight231.34 g/mol
Exact Mass231.11
IUPAC Nameethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine
SMILESCC.CNCC1OCCc2sc(F)cc21
InChIInChI=1S/C9H12FNOS.C2H6/c1-11-5-7-6-4-9(10)13-8(6)2-3-12-7;1-2/h4,7,11H,2-3,5H2,1H3;1-2H3
InChIKeyAWQJNLRUCQAOCN-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 142603267
1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 165409710
1-[(1R)-5,6-difluoro-3,4-dihydro-1H-isochromen-1-yl]-N-methylmethanamine
CID 165409686
N-[(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166294683
1-[(1R)-7-fluoro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-N-methylmethanamine
CID 165409737
(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
CID 67257030
CID 163423796
CID 163423796
1-[(7R)-2-bromo-3-chloro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
CID 124566623
1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine
CID 146569227
[2-[[2-methyl-4-(methylaminomethyl)-4,6,7,8-tetrahydrothieno[3,2-c]oxepin-6-yl]methyl]-4,6,7,8-tetrahydrothieno[3,2-c]oxepin-4-yl]methanamine
CID 155207288
N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460411
N-methyl-1-[5-(1,2-oxazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460481

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine?
The IUPAC name of ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine (CID 142603306) is ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine.
What is the SMILES notation for ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine?
The canonical SMILES for ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine is CC.CNCC1OCCc2sc(F)cc21.
What is the InChIKey of ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine?
The InChIKey is AWQJNLRUCQAOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS.C2H6/c1-11-5-7-6-4-9(10)13-8(6)2-3-12-7;1-2/h4,7,11H,2-3,5H2,1H3;1-2H3.
What are the key properties of ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine?
ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine is sourced from PubChem (CID 142603306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).