3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine

C17H21NS2 — CID 3078840

IUPAC3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1c2ccccc2CSc2sccc21
InChIInChI=1S/C17H21NS2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-20-17-16(15)9-11-19-17/h3-4,6-7,9,11,15H,5,8,10,12H2,1-2H3
InChIKeyYFSRNXPHHJLMCX-UHFFFAOYSA-N
MW303.50 g/mol
LogP4.83
Rot. Bonds4

About 3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine

3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine (PubChem CID 3078840) has the molecular formula C17H21NS2 and a molecular weight of 303.50 g/mol. Its IUPAC name is 3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine
PubChem CID3078840
Molecular FormulaC17H21NS2
Molecular Weight303.50 g/mol
Exact Mass303.11
IUPAC Name3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1c2ccccc2CSc2sccc21
InChIInChI=1S/C17H21NS2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-20-17-16(15)9-11-19-17/h3-4,6-7,9,11,15H,5,8,10,12H2,1-2H3
InChIKeyYFSRNXPHHJLMCX-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine (CID 3078840) is 3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCC1c2ccccc2CSc2sccc21.
What is the InChIKey of 3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is YFSRNXPHHJLMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-20-17-16(15)9-11-19-17/h3-4,6-7,9,11,15H,5,8,10,12H2,1-2H3.
What are the key properties of 3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine?
3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 303.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 3078840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).