1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone

C15H16ClNO2S — CID 102937282

IUPAC1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2csc3ccccc23)CC(CCl)O1
InChIInChI=1S/C15H16ClNO2S/c1-10-7-17(8-11(6-16)19-10)15(18)13-9-20-14-5-3-2-4-12(13)14/h2-5,9-11H,6-8H2,1H3
InChIKeyRPIAOBDAGPNBLJ-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.37
Rot. Bonds2

About 1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone

1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102937282) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102937282
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2csc3ccccc23)CC(CCl)O1
InChIInChI=1S/C15H16ClNO2S/c1-10-7-17(8-11(6-16)19-10)15(18)13-9-20-14-5-3-2-4-12(13)14/h2-5,9-11H,6-8H2,1H3
InChIKeyRPIAOBDAGPNBLJ-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55185518
(3-chloro-2-fluorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937575
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 102937304
1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81209686
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102937552
(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 106690235
(6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one
CID 125144650
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 102937319
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 102934526
(3-chloro-1-benzothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 889572

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of 1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone (CID 102937282) is 1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for 1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)c2csc3ccccc23)CC(CCl)O1.
What is the InChIKey of 1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is RPIAOBDAGPNBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-10-7-17(8-11(6-16)19-10)15(18)13-9-20-14-5-3-2-4-12(13)14/h2-5,9-11H,6-8H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 309.82 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102937282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).