1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine

C11H17NOS — CID 138602793

IUPAC1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)[C@H]1OCCc2sccc21
InChIInChI=1S/C11H17NOS/c1-7(2)10(12)11-8-4-6-14-9(8)3-5-13-11/h4,6-7,10-11H,3,5,12H2,1-2H3/t10?,11-/m0/s1
InChIKeySKJVDYXOWDFIKE-DTIOYNMSSA-N
MW211.33 g/mol
LogP2.35
Rot. Bonds2

About 1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine

1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine (PubChem CID 138602793) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine
PubChem CID138602793
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)[C@H]1OCCc2sccc21
InChIInChI=1S/C11H17NOS/c1-7(2)10(12)11-8-4-6-14-9(8)3-5-13-11/h4,6-7,10-11H,3,5,12H2,1-2H3/t10?,11-/m0/s1
InChIKeySKJVDYXOWDFIKE-DTIOYNMSSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine with MolForge

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Related Compounds

(2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid
CID 124710618
acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran
CID 21423152
4-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethylamino]methyl]benzoic acid
CID 122034712
3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethylcarbamoylamino]propanoic acid
CID 122015221
methyl (E)-4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)propanoylamino]but-2-enoate
CID 146141879
N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 146088238
1-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 96527607
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122015232
N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 126802462
(1S)-1-[(4S)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-4-yl]ethanamine
CID 129016132
(Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine
CID 129016100
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)urea
CID 128618235

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine (CID 138602793) is 1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine is CC(C)C(N)[C@H]1OCCc2sccc21.
What is the InChIKey of 1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine?
The InChIKey is SKJVDYXOWDFIKE-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7(2)10(12)11-8-4-6-14-9(8)3-5-13-11/h4,6-7,10-11H,3,5,12H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of 1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine?
1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 138602793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).