1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one

C22H30N2OS — CID 19599940

IUPAC1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one
SMILESCN(C)Cc1cc2c(s1)CN(C(=O)CCCCCc1ccccc1)CC2
InChIInChI=1S/C22H30N2OS/c1-23(2)16-20-15-19-13-14-24(17-21(19)26-20)22(25)12-8-4-7-11-18-9-5-3-6-10-18/h3,5-6,9-10,15H,4,7-8,11-14,16-17H2,1-2H3
InChIKeyIRZUMGFVMQCQQQ-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.50
Rot. Bonds8

About 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one

1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one (PubChem CID 19599940) has the molecular formula C22H30N2OS and a molecular weight of 370.56 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one
PubChem CID19599940
Molecular FormulaC22H30N2OS
Molecular Weight370.56 g/mol
Exact Mass370.21
IUPAC Name1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one
SMILESCN(C)Cc1cc2c(s1)CN(C(=O)CCCCCc1ccccc1)CC2
InChIInChI=1S/C22H30N2OS/c1-23(2)16-20-15-19-13-14-24(17-21(19)26-20)22(25)12-8-4-7-11-18-9-5-3-6-10-18/h3,5-6,9-10,15H,4,7-8,11-14,16-17H2,1-2H3
InChIKeyIRZUMGFVMQCQQQ-UHFFFAOYSA-N
XLogP4.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one (CID 19599940) is 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one is CN(C)Cc1cc2c(s1)CN(C(=O)CCCCCc1ccccc1)CC2.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one?
The InChIKey is IRZUMGFVMQCQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2OS/c1-23(2)16-20-15-19-13-14-24(17-21(19)26-20)22(25)12-8-4-7-11-18-9-5-3-6-10-18/h3,5-6,9-10,15H,4,7-8,11-14,16-17H2,1-2H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one?
1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one has a molecular weight of 370.56 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-6-phenylhexan-1-one is sourced from PubChem (CID 19599940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).