4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine

C13H14ClNOS — CID 117179758

IUPAC4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine
SMILESClc1ccc2cc(CN3CCOCC3)sc2c1
InChIInChI=1S/C13H14ClNOS/c14-11-2-1-10-7-12(17-13(10)8-11)9-15-3-5-16-6-4-15/h1-2,7-8H,3-6,9H2
InChIKeyXGJWCJWHMRODMZ-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.39
Rot. Bonds2

About 4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine

4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine (PubChem CID 117179758) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine
PubChem CID117179758
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine
SMILESClc1ccc2cc(CN3CCOCC3)sc2c1
InChIInChI=1S/C13H14ClNOS/c14-11-2-1-10-7-12(17-13(10)8-11)9-15-3-5-16-6-4-15/h1-2,7-8H,3-6,9H2
InChIKeyXGJWCJWHMRODMZ-UHFFFAOYSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-chloro-1-benzothiophen-2-yl)methyl]pyrrolidine
CID 117179741
4-[(5-methyl-1-benzothiophen-2-yl)methyl]morpholine
CID 117185317
4-[(7-bromo-1-benzothiophen-2-yl)methyl]morpholine
CID 117183219
1-[(6-bromo-1-benzothiophen-2-yl)methyl]piperazine
CID 82667803
3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide
CID 141010360
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
5-chloro-2-(morpholin-4-ylmethyl)benzonitrile
CID 118537804
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268
4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 851996
2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid
CID 117172959
N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine
CID 117179726
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine?
The IUPAC name of 4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine (CID 117179758) is 4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine is Clc1ccc2cc(CN3CCOCC3)sc2c1.
What is the InChIKey of 4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine?
The InChIKey is XGJWCJWHMRODMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c14-11-2-1-10-7-12(17-13(10)8-11)9-15-3-5-16-6-4-15/h1-2,7-8H,3-6,9H2.
What are the key properties of 4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine?
4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine has a molecular weight of 267.78 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-1-benzothiophen-2-yl)methyl]morpholine is sourced from PubChem (CID 117179758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).