N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine

C15H20N2S2 — CID 62418648

IUPACN-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
SMILESCNCc1sc2ccccc2c1CN1CCSCC1
InChIInChI=1S/C15H20N2S2/c1-16-10-15-13(11-17-6-8-18-9-7-17)12-4-2-3-5-14(12)19-15/h2-5,16H,6-11H2,1H3
InChIKeyFKMNKABXTYZDEO-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.17
Rot. Bonds4

About N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine

N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine (PubChem CID 62418648) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
PubChem CID62418648
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
SMILESCNCc1sc2ccccc2c1CN1CCSCC1
InChIInChI=1S/C15H20N2S2/c1-16-10-15-13(11-17-6-8-18-9-7-17)12-4-2-3-5-14(12)19-15/h2-5,16H,6-11H2,1H3
InChIKeyFKMNKABXTYZDEO-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine (CID 62418648) is N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine is CNCc1sc2ccccc2c1CN1CCSCC1.
What is the InChIKey of N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine?
The InChIKey is FKMNKABXTYZDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-16-10-15-13(11-17-6-8-18-9-7-17)12-4-2-3-5-14(12)19-15/h2-5,16H,6-11H2,1H3.
What are the key properties of N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine?
N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine has a molecular weight of 292.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 62418648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).