1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide

C13H15NO5S — CID 146146415

IUPAC1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1cc2c(cc1S(=O)(=O)NC(=O)C1(C)CC1)OCO2
InChIInChI=1S/C13H15NO5S/c1-8-5-9-10(19-7-18-9)6-11(8)20(16,17)14-12(15)13(2)3-4-13/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeySYRUIWZJFBAXSQ-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.33
Rot. Bonds3

About 1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide

1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide (PubChem CID 146146415) has the molecular formula C13H15NO5S and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide
PubChem CID146146415
Molecular FormulaC13H15NO5S
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Name1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1cc2c(cc1S(=O)(=O)NC(=O)C1(C)CC1)OCO2
InChIInChI=1S/C13H15NO5S/c1-8-5-9-10(19-7-18-9)6-11(8)20(16,17)14-12(15)13(2)3-4-13/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeySYRUIWZJFBAXSQ-UHFFFAOYSA-N
XLogP1.33
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfonylamino]propanoic acid
CID 120660272
(2S)-3-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfonylamino]butanoic acid
CID 120660281
N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide
CID 120874313
6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874460
N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954
6-methyl-N-[2-(propylamino)ethyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120876034
N-tert-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758916
6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 120876654
6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120876388
(2S)-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 120660352
methyl 1-[[(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]cyclopropane-1-carboxylate
CID 115247460
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 53070922

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide (CID 146146415) is 1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide is Cc1cc2c(cc1S(=O)(=O)NC(=O)C1(C)CC1)OCO2.
What is the InChIKey of 1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide?
The InChIKey is SYRUIWZJFBAXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S/c1-8-5-9-10(19-7-18-9)6-11(8)20(16,17)14-12(15)13(2)3-4-13/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide?
1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146146415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).