N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide

C12H19N3O2S — CID 71641545

IUPACN-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)Cc1ccncc1
InChIInChI=1S/C12H19N3O2S/c1-15(12-4-8-14-9-5-12)18(16,17)10-11-2-6-13-7-3-11/h2-3,6-7,12,14H,4-5,8-10H2,1H3
InChIKeyFVMNDXQXBAUNFA-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.60
Rot. Bonds4

About N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide

N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide (PubChem CID 71641545) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide
PubChem CID71641545
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)Cc1ccncc1
InChIInChI=1S/C12H19N3O2S/c1-15(12-4-8-14-9-5-12)18(16,17)10-11-2-6-13-7-3-11/h2-3,6-7,12,14H,4-5,8-10H2,1H3
InChIKeyFVMNDXQXBAUNFA-UHFFFAOYSA-N
XLogP0.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide (CID 71641545) is N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide is CN(C1CCNCC1)S(=O)(=O)Cc1ccncc1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide?
The InChIKey is FVMNDXQXBAUNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-15(12-4-8-14-9-5-12)18(16,17)10-11-2-6-13-7-3-11/h2-3,6-7,12,14H,4-5,8-10H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide?
N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide is sourced from PubChem (CID 71641545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).