N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide

C12H20N2O3S — CID 49459809

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ncc(C)c(OC)c1C
InChIInChI=1S/C12H20N2O3S/c1-5-6-18(15,16)14-8-11-10(3)12(17-4)9(2)7-13-11/h7,14H,5-6,8H2,1-4H3
InChIKeyCRBARDIXOUNPMC-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.54
Rot. Bonds6

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide (PubChem CID 49459809) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide
PubChem CID49459809
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ncc(C)c(OC)c1C
InChIInChI=1S/C12H20N2O3S/c1-5-6-18(15,16)14-8-11-10(3)12(17-4)9(2)7-13-11/h7,14H,5-6,8H2,1-4H3
InChIKeyCRBARDIXOUNPMC-UHFFFAOYSA-N
XLogP1.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide (CID 49459809) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ncc(C)c(OC)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide?
The InChIKey is CRBARDIXOUNPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-5-6-18(15,16)14-8-11-10(3)12(17-4)9(2)7-13-11/h7,14H,5-6,8H2,1-4H3.
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 49459809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).