2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide

C11H14N2O3S — CID 86819669

IUPAC2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C2CC2C)cn1
InChIInChI=1S/C11H14N2O3S/c1-7-5-10(7)11(14)13-17(15,16)9-4-3-8(2)12-6-9/h3-4,6-7,10H,5H2,1-2H3,(H,13,14)
InChIKeyLDEVMYCEDGRDBU-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.85
Rot. Bonds3

About 2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide

2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide (PubChem CID 86819669) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
PubChem CID86819669
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C2CC2C)cn1
InChIInChI=1S/C11H14N2O3S/c1-7-5-10(7)11(14)13-17(15,16)9-4-3-8(2)12-6-9/h3-4,6-7,10H,5H2,1-2H3,(H,13,14)
InChIKeyLDEVMYCEDGRDBU-UHFFFAOYSA-N
XLogP0.85
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide (CID 86819669) is 2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)C2CC2C)cn1.
What is the InChIKey of 2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide?
The InChIKey is LDEVMYCEDGRDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7-5-10(7)11(14)13-17(15,16)9-4-3-8(2)12-6-9/h3-4,6-7,10H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide?
2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86819669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).