N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide

C10H16N2O2S — CID 57090435

IUPACN-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide
SMILESCCCc1ccc(CNS(C)(=O)=O)cn1
InChIInChI=1S/C10H16N2O2S/c1-3-4-10-6-5-9(7-11-10)8-12-15(2,13)14/h5-7,12H,3-4,8H2,1-2H3
InChIKeyDVIOLQBJLOZQLP-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.08
Rot. Bonds5

About N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide

N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide (PubChem CID 57090435) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide
PubChem CID57090435
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide
SMILESCCCc1ccc(CNS(C)(=O)=O)cn1
InChIInChI=1S/C10H16N2O2S/c1-3-4-10-6-5-9(7-11-10)8-12-15(2,13)14/h5-7,12H,3-4,8H2,1-2H3
InChIKeyDVIOLQBJLOZQLP-UHFFFAOYSA-N
XLogP1.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide (CID 57090435) is N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide is CCCc1ccc(CNS(C)(=O)=O)cn1.
What is the InChIKey of N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide?
The InChIKey is DVIOLQBJLOZQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-4-10-6-5-9(7-11-10)8-12-15(2,13)14/h5-7,12H,3-4,8H2,1-2H3.
What are the key properties of N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide?
N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 57090435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).