N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide

C11H18N2O2S2 — CID 75446605

IUPACN-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide
SMILESCc1cccnc1CSCCCNS(C)(=O)=O
InChIInChI=1S/C11H18N2O2S2/c1-10-5-3-6-12-11(10)9-16-8-4-7-13-17(2,14)15/h3,5-6,13H,4,7-9H2,1-2H3
InChIKeyLPHPNBRWVMCTAT-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.56
Rot. Bonds7

About N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide

N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide (PubChem CID 75446605) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide
PubChem CID75446605
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide
SMILESCc1cccnc1CSCCCNS(C)(=O)=O
InChIInChI=1S/C11H18N2O2S2/c1-10-5-3-6-12-11(10)9-16-8-4-7-13-17(2,14)15/h3,5-6,13H,4,7-9H2,1-2H3
InChIKeyLPHPNBRWVMCTAT-UHFFFAOYSA-N
XLogP1.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide (CID 75446605) is N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide is Cc1cccnc1CSCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide?
The InChIKey is LPHPNBRWVMCTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-10-5-3-6-12-11(10)9-16-8-4-7-13-17(2,14)15/h3,5-6,13H,4,7-9H2,1-2H3.
What are the key properties of N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide?
N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide has a molecular weight of 274.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methyl-2-pyridinyl)methylsulfanyl]propyl]methanesulfonamide is sourced from PubChem (CID 75446605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).