5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid

C11H13NO3S2 — CID 115730350

IUPAC5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(C(=O)O)s2)CCS1
InChIInChI=1S/C11H13NO3S2/c1-7-6-12(4-5-16-7)10(13)8-2-3-9(17-8)11(14)15/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyLOXNMHWVQNOLJP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.02
Rot. Bonds2

About 5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid

5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid (PubChem CID 115730350) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
PubChem CID115730350
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC Name5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(C(=O)O)s2)CCS1
InChIInChI=1S/C11H13NO3S2/c1-7-6-12(4-5-16-7)10(13)8-2-3-9(17-8)11(14)15/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyLOXNMHWVQNOLJP-UHFFFAOYSA-N
XLogP2.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 63614567
5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
CID 106670963
5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 43414439
5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)thiophene-2-carboxylic acid
CID 119186671
5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 115611728
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid
CID 79169988
3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103337464
5-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 63175273
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(2,3-difluorophenyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611669
1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
CID 113244798
(3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115696759

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid (CID 115730350) is 5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid is CC1CN(C(=O)c2ccc(C(=O)O)s2)CCS1.
What is the InChIKey of 5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is LOXNMHWVQNOLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S2/c1-7-6-12(4-5-16-7)10(13)8-2-3-9(17-8)11(14)15/h2-3,7H,4-6H2,1H3,(H,14,15).
What are the key properties of 5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid?
5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 115730350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).