N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine

C10H15NOS — CID 166625859

IUPACN-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine
SMILESCNCC1OCCCc2ccsc21
InChIInChI=1S/C10H15NOS/c1-11-7-9-10-8(4-6-13-10)3-2-5-12-9/h4,6,9,11H,2-3,5,7H2,1H3
InChIKeyQSVFBEFJPQNHHR-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.97
Rot. Bonds2

About N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine

N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine (PubChem CID 166625859) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine
PubChem CID166625859
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine
SMILESCNCC1OCCCc2ccsc21
InChIInChI=1S/C10H15NOS/c1-11-7-9-10-8(4-6-13-10)3-2-5-12-9/h4,6,9,11H,2-3,5,7H2,1H3
InChIKeyQSVFBEFJPQNHHR-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine?
The IUPAC name of N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine (CID 166625859) is N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine?
The canonical SMILES for N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine is CNCC1OCCCc2ccsc21.
What is the InChIKey of N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine?
The InChIKey is QSVFBEFJPQNHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-11-7-9-10-8(4-6-13-10)3-2-5-12-9/h4,6,9,11H,2-3,5,7H2,1H3.
What are the key properties of N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine?
N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine has a molecular weight of 197.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine is sourced from PubChem (CID 166625859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).