1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride

C9H14ClNOS — CID 139415154

IUPAC1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride
SMILESCNC[C@@H]1OCCc2ccsc21.Cl
InChIInChI=1S/C9H13NOS.ClH/c1-10-6-8-9-7(2-4-11-8)3-5-12-9;/h3,5,8,10H,2,4,6H2,1H3;1H/t8-;/m0./s1
InChIKeyJRDQGVVFSHRVTL-QRPNPIFTSA-N
MW219.74 g/mol
LogP2.00
Rot. Bonds2

About 1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride

1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride (PubChem CID 139415154) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride
PubChem CID139415154
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride
SMILESCNC[C@@H]1OCCc2ccsc21.Cl
InChIInChI=1S/C9H13NOS.ClH/c1-10-6-8-9-7(2-4-11-8)3-5-12-9;/h3,5,8,10H,2,4,6H2,1H3;1H/t8-;/m0./s1
InChIKeyJRDQGVVFSHRVTL-QRPNPIFTSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride (CID 139415154) is 1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride is CNC[C@@H]1OCCc2ccsc21.Cl.
What is the InChIKey of 1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is JRDQGVVFSHRVTL-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H13NOS.ClH/c1-10-6-8-9-7(2-4-11-8)3-5-12-9;/h3,5,8,10H,2,4,6H2,1H3;1H/t8-;/m0./s1.
What are the key properties of 1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride?
1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 139415154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).