7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide

C14H17NO3S — CID 117186396

IUPAC7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
SMILESCc1cccc2c1S(=O)(=O)C(CN1CCOCC1)=C2
InChIInChI=1S/C14H17NO3S/c1-11-3-2-4-12-9-13(19(16,17)14(11)12)10-15-5-7-18-8-6-15/h2-4,9H,5-8,10H2,1H3
InChIKeyPPJPXBDRJNAATK-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.46
Rot. Bonds2

About 7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide

7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide (PubChem CID 117186396) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
PubChem CID117186396
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
SMILESCc1cccc2c1S(=O)(=O)C(CN1CCOCC1)=C2
InChIInChI=1S/C14H17NO3S/c1-11-3-2-4-12-9-13(19(16,17)14(11)12)10-15-5-7-18-8-6-15/h2-4,9H,5-8,10H2,1H3
InChIKeyPPJPXBDRJNAATK-UHFFFAOYSA-N
XLogP1.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol
CID 117172542
2-(ethylsulfonylmethyl)-7-methyl-1-benzothiophene 1,1-dioxide
CID 117186399
4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
CID 117172546
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
5-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]-2H-isoquinolin-1-one
CID 71736279
4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
CID 22092322
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184909
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809922

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide?
The IUPAC name of 7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide (CID 117186396) is 7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide is Cc1cccc2c1S(=O)(=O)C(CN1CCOCC1)=C2.
What is the InChIKey of 7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide?
The InChIKey is PPJPXBDRJNAATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-11-3-2-4-12-9-13(19(16,17)14(11)12)10-15-5-7-18-8-6-15/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide?
7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide has a molecular weight of 279.36 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 117186396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).