4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine

C16H21NOS — CID 170870860

IUPAC4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine
SMILESCc1c(CCCN2CCOCC2)sc2ccccc12
InChIInChI=1S/C16H21NOS/c1-13-14-5-2-3-6-16(14)19-15(13)7-4-8-17-9-11-18-12-10-17/h2-3,5-6H,4,7-12H2,1H3
InChIKeyQFGGUWDKOXSSJD-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.47
Rot. Bonds4

About 4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine

4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine (PubChem CID 170870860) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine
PubChem CID170870860
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine
SMILESCc1c(CCCN2CCOCC2)sc2ccccc12
InChIInChI=1S/C16H21NOS/c1-13-14-5-2-3-6-16(14)19-15(13)7-4-8-17-9-11-18-12-10-17/h2-3,5-6H,4,7-12H2,1H3
InChIKeyQFGGUWDKOXSSJD-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine
CID 170870855
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine
CID 67142980
3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione
CID 3780799
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid
CID 82364898
4-[3-(2-ethoxynaphthalen-1-yl)propyl]morpholine
CID 170869209
4-[4-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]butyl]morpholine
CID 67144012
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine
CID 54360291
[3-(1,4-oxazepan-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 55141926

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine?
The IUPAC name of 4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine (CID 170870860) is 4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine is Cc1c(CCCN2CCOCC2)sc2ccccc12.
What is the InChIKey of 4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine?
The InChIKey is QFGGUWDKOXSSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-13-14-5-2-3-6-16(14)19-15(13)7-4-8-17-9-11-18-12-10-17/h2-3,5-6H,4,7-12H2,1H3.
What are the key properties of 4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine?
4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine has a molecular weight of 275.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine is sourced from PubChem (CID 170870860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).