N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine

C15H21NOS — CID 79320051

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine
SMILESCN(CC1CSc2ccccc21)C1CCOCC1
InChIInChI=1S/C15H21NOS/c1-16(13-6-8-17-9-7-13)10-12-11-18-15-5-3-2-4-14(12)15/h2-5,12-13H,6-11H2,1H3
InChIKeyRRSXDHNHXKPAON-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.99
Rot. Bonds3

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine (PubChem CID 79320051) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine
PubChem CID79320051
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine
SMILESCN(CC1CSc2ccccc21)C1CCOCC1
InChIInChI=1S/C15H21NOS/c1-16(13-6-8-17-9-7-13)10-12-11-18-15-5-3-2-4-14(12)15/h2-5,12-13H,6-11H2,1H3
InChIKeyRRSXDHNHXKPAON-UHFFFAOYSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine (CID 79320051) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine is CN(CC1CSc2ccccc21)C1CCOCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine?
The InChIKey is RRSXDHNHXKPAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-16(13-6-8-17-9-7-13)10-12-11-18-15-5-3-2-4-14(12)15/h2-5,12-13H,6-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine has a molecular weight of 263.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine is sourced from PubChem (CID 79320051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).