N-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide

C11H17N3O2S — CID 71861512

IUPACN-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1c1ccccn1
InChIInChI=1S/C11H17N3O2S/c1-12-17(15,16)9-10-5-4-8-14(10)11-6-2-3-7-13-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyOHXTYBJSJHHDRK-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.60
Rot. Bonds4

About N-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide

N-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide (PubChem CID 71861512) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide
PubChem CID71861512
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1c1ccccn1
InChIInChI=1S/C11H17N3O2S/c1-12-17(15,16)9-10-5-4-8-14(10)11-6-2-3-7-13-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyOHXTYBJSJHHDRK-UHFFFAOYSA-N
XLogP0.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
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-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide?
The IUPAC name of N-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide (CID 71861512) is N-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide?
The canonical SMILES for N-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide is CNS(=O)(=O)CC1CCCN1c1ccccn1.
What is the InChIKey of N-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide?
The InChIKey is OHXTYBJSJHHDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-12-17(15,16)9-10-5-4-8-14(10)11-6-2-3-7-13-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3.
What are the key properties of N-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide?
N-methyl-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide has a molecular weight of 255.34 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-1-(1-pyridin-2-ylpyrrolidin-2-yl)methanesulfonamide is sourced from PubChem (CID 71861512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).