2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide

C13H22N2O2S — CID 125438890

IUPAC2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CC(C)C)c1cc(C)ccn1
InChIInChI=1S/C13H22N2O2S/c1-5-12(13-8-11(4)6-7-14-13)15-18(16,17)9-10(2)3/h6-8,10,12,15H,5,9H2,1-4H3/t12-/m1/s1
InChIKeyJCQIAZBUKRXJLB-GFCCVEGCSA-N
MW270.40 g/mol
LogP2.42
Rot. Bonds6

About 2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide

2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide (PubChem CID 125438890) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide
PubChem CID125438890
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CC(C)C)c1cc(C)ccn1
InChIInChI=1S/C13H22N2O2S/c1-5-12(13-8-11(4)6-7-14-13)15-18(16,17)9-10(2)3/h6-8,10,12,15H,5,9H2,1-4H3/t12-/m1/s1
InChIKeyJCQIAZBUKRXJLB-GFCCVEGCSA-N
XLogP2.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide (CID 125438890) is 2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide is CC[C@@H](NS(=O)(=O)CC(C)C)c1cc(C)ccn1.
What is the InChIKey of 2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide?
The InChIKey is JCQIAZBUKRXJLB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-12(13-8-11(4)6-7-14-13)15-18(16,17)9-10(2)3/h6-8,10,12,15H,5,9H2,1-4H3/t12-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide?
2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-(4-methyl-2-pyridinyl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 125438890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).