1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide

C11H17N3O2S — CID 97165900

IUPAC1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccnc1)NC[C@H]1CCCN1
InChIInChI=1S/C11H17N3O2S/c15-17(16,9-10-3-1-5-12-7-10)14-8-11-4-2-6-13-11/h1,3,5,7,11,13-14H,2,4,6,8-9H2/t11-/m1/s1
InChIKeyAPUUTHCEDZBJIR-LLVKDONJSA-N
MW255.34 g/mol
LogP0.25
Rot. Bonds5

About 1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide

1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide (PubChem CID 97165900) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
PubChem CID97165900
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccnc1)NC[C@H]1CCCN1
InChIInChI=1S/C11H17N3O2S/c15-17(16,9-10-3-1-5-12-7-10)14-8-11-4-2-6-13-11/h1,3,5,7,11,13-14H,2,4,6,8-9H2/t11-/m1/s1
InChIKeyAPUUTHCEDZBJIR-LLVKDONJSA-N
XLogP0.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-piperidin-2-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165898
N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165901
N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride
CID 71645651
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133
1-[(2R)-piperidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97178382
N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide
CID 170285785
2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
CID 119974202
N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide
CID 119974476
3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166301
N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide
CID 11818625
N-(pyridin-3-ylmethyl)pyrrolidin-2-amine
CID 90939130

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide (CID 97165900) is 1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide is O=S(=O)(Cc1cccnc1)NC[C@H]1CCCN1.
What is the InChIKey of 1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide?
The InChIKey is APUUTHCEDZBJIR-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17N3O2S/c15-17(16,9-10-3-1-5-12-7-10)14-8-11-4-2-6-13-11/h1,3,5,7,11,13-14H,2,4,6,8-9H2/t11-/m1/s1.
What are the key properties of 1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide?
1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97165900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).