(1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide

C16H24N2O2S — CID 128779870

IUPAC(1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide
SMILESCC(C)(CNS(=O)(=O)C1C[C@@H]2CC[C@H]1C2)c1cccnc1
InChIInChI=1S/C16H24N2O2S/c1-16(2,14-4-3-7-17-10-14)11-18-21(19,20)15-9-12-5-6-13(15)8-12/h3-4,7,10,12-13,15,18H,5-6,8-9,11H2,1-2H3/t12-,13+,15?/m1/s1
InChIKeyZWAFVVXORWKQQI-NEJHNUGDSA-N
MW308.45 g/mol
LogP2.47
Rot. Bonds5

About (1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide

(1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide (PubChem CID 128779870) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide.

Molecular Properties

Compound Name(1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide
PubChem CID128779870
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name(1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide
SMILESCC(C)(CNS(=O)(=O)C1C[C@@H]2CC[C@H]1C2)c1cccnc1
InChIInChI=1S/C16H24N2O2S/c1-16(2,14-4-3-7-17-10-14)11-18-21(19,20)15-9-12-5-6-13(15)8-12/h3-4,7,10,12-13,15,18H,5-6,8-9,11H2,1-2H3/t12-,13+,15?/m1/s1
InChIKeyZWAFVVXORWKQQI-NEJHNUGDSA-N
XLogP2.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide?
The IUPAC name of (1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide (CID 128779870) is (1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide.
What is the SMILES notation for (1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide?
The canonical SMILES for (1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide is CC(C)(CNS(=O)(=O)C1C[C@@H]2CC[C@H]1C2)c1cccnc1.
What is the InChIKey of (1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide?
The InChIKey is ZWAFVVXORWKQQI-NEJHNUGDSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2,14-4-3-7-17-10-14)11-18-21(19,20)15-9-12-5-6-13(15)8-12/h3-4,7,10,12-13,15,18H,5-6,8-9,11H2,1-2H3/t12-,13+,15?/m1/s1.
What are the key properties of (1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide?
(1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-N-(2-methyl-2-pyridin-3-ylpropyl)bicyclo[2.2.1]heptane-2-sulfonamide is sourced from PubChem (CID 128779870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).