[(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine

C10H15NS — CID 129016245

IUPAC[(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine
SMILESNC[C@@H]1CCCC2=C1SCC=C2
InChIInChI=1S/C10H15NS/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h2,5,9H,1,3-4,6-7,11H2/t9-/m0/s1
InChIKeyCQJCALCENZZPDH-VIFPVBQESA-N
MW181.30 g/mol
LogP2.30
Rot. Bonds1

About [(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine

[(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine (PubChem CID 129016245) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is [(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine.

Molecular Properties

Compound Name[(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine
PubChem CID129016245
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name[(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine
SMILESNC[C@@H]1CCCC2=C1SCC=C2
InChIInChI=1S/C10H15NS/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h2,5,9H,1,3-4,6-7,11H2/t9-/m0/s1
InChIKeyCQJCALCENZZPDH-VIFPVBQESA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine?
The IUPAC name of [(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine (CID 129016245) is [(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine.
What is the SMILES notation for [(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine?
The canonical SMILES for [(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine is NC[C@@H]1CCCC2=C1SCC=C2.
What is the InChIKey of [(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine?
The InChIKey is CQJCALCENZZPDH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NS/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h2,5,9H,1,3-4,6-7,11H2/t9-/m0/s1.
What are the key properties of [(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine?
[(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine has a molecular weight of 181.30 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-5,6,7,8-tetrahydro-2H-thiochromen-8-yl]methanamine is sourced from PubChem (CID 129016245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).