N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine

C15H22N2S — CID 79221307

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CNCC2CSc3ccccc32)C1
InChIInChI=1S/C15H22N2S/c1-17-7-6-12(10-17)8-16-9-13-11-18-15-5-3-2-4-14(13)15/h2-5,12-13,16H,6-11H2,1H3
InChIKeyFMMZCESBQHMAMF-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.42
Rot. Bonds4

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 79221307) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID79221307
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CNCC2CSc3ccccc32)C1
InChIInChI=1S/C15H22N2S/c1-17-7-6-12(10-17)8-16-9-13-11-18-15-5-3-2-4-14(13)15/h2-5,12-13,16H,6-11H2,1H3
InChIKeyFMMZCESBQHMAMF-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
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)-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine (CID 79221307) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine is CN1CCC(CNCC2CSc3ccccc32)C1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is FMMZCESBQHMAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-17-7-6-12(10-17)8-16-9-13-11-18-15-5-3-2-4-14(13)15/h2-5,12-13,16H,6-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 262.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 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)-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 79221307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).