N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride

C9H14ClNOS — CID 155682852

IUPACN,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride
SMILESCN(C)C1OCCc2ccsc21.Cl
InChIInChI=1S/C9H13NOS.ClH/c1-10(2)9-8-7(3-5-11-9)4-6-12-8;/h4,6,9H,3,5H2,1-2H3;1H
InChIKeyCJABKOZRICGGNO-UHFFFAOYSA-N
MW219.74 g/mol
LogP2.30
Rot. Bonds1

About N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride

N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride (PubChem CID 155682852) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride
PubChem CID155682852
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC NameN,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride
SMILESCN(C)C1OCCc2ccsc21.Cl
InChIInChI=1S/C9H13NOS.ClH/c1-10(2)9-8-7(3-5-11-9)4-6-12-8;/h4,6,9H,3,5H2,1-2H3;1H
InChIKeyCJABKOZRICGGNO-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride (CID 155682852) is N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride is CN(C)C1OCCc2ccsc21.Cl.
What is the InChIKey of N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride?
The InChIKey is CJABKOZRICGGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.ClH/c1-10(2)9-8-7(3-5-11-9)4-6-12-8;/h4,6,9H,3,5H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride?
N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride is sourced from PubChem (CID 155682852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).