1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid

C14H14N2O4S — CID 115578255

IUPAC1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NC2(C(=O)O)CC2)c2cccnc12
InChIInChI=1S/C14H14N2O4S/c1-9-4-5-11(10-3-2-8-15-12(9)10)21(19,20)16-14(6-7-14)13(17)18/h2-5,8,16H,6-7H2,1H3,(H,17,18)
InChIKeyDTYHFLSQBRTFRG-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.44
Rot. Bonds4

About 1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid

1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid (PubChem CID 115578255) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
PubChem CID115578255
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NC2(C(=O)O)CC2)c2cccnc12
InChIInChI=1S/C14H14N2O4S/c1-9-4-5-11(10-3-2-8-15-12(9)10)21(19,20)16-14(6-7-14)13(17)18/h2-5,8,16H,6-7H2,1H3,(H,17,18)
InChIKeyDTYHFLSQBRTFRG-UHFFFAOYSA-N
XLogP1.44
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide
CID 119980863
8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide
CID 134002358
1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 71246696
1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 103298837
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
(2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 103862690
2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 104773542
1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 11522844
2-[(8-methylquinolin-5-yl)sulfonylamino]ethanethioamide
CID 104773629
1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 142344597
N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
CID 104774049
2-[(8-methylquinolin-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 134002702

Frequently Asked Questions

What is the IUPAC name of 1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid (CID 115578255) is 1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid is Cc1ccc(S(=O)(=O)NC2(C(=O)O)CC2)c2cccnc12.
What is the InChIKey of 1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
The InChIKey is DTYHFLSQBRTFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-4-5-11(10-3-2-8-15-12(9)10)21(19,20)16-14(6-7-14)13(17)18/h2-5,8,16H,6-7H2,1H3,(H,17,18).
What are the key properties of 1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115578255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).