1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide

C10H12N2O3S — CID 139006914

IUPAC1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C10H12N2O3S/c1-10(4-5-10)9(13)12-16(14,15)8-3-2-6-11-7-8/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyNMVBDJRKJASIKT-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.69
Rot. Bonds3

About 1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide

1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide (PubChem CID 139006914) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
PubChem CID139006914
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C10H12N2O3S/c1-10(4-5-10)9(13)12-16(14,15)8-3-2-6-11-7-8/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyNMVBDJRKJASIKT-UHFFFAOYSA-N
XLogP0.69
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide (CID 139006914) is 1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide is CC1(C(=O)NS(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide?
The InChIKey is NMVBDJRKJASIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-10(4-5-10)9(13)12-16(14,15)8-3-2-6-11-7-8/h2-3,6-7H,4-5H2,1H3,(H,12,13).
What are the key properties of 1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide?
1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 139006914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).