N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide

C12H19N3O2S — CID 97165901

IUPACN-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
SMILESO=S(=O)(Cc1cccnc1)NC[C@@H]1CCCNC1
InChIInChI=1S/C12H19N3O2S/c16-18(17,10-12-4-2-6-14-8-12)15-9-11-3-1-5-13-7-11/h2,4,6,8,11,13,15H,1,3,5,7,9-10H2/t11-/m1/s1
InChIKeyPWDWSWATZCEECI-LLVKDONJSA-N
MW269.37 g/mol
LogP0.50
Rot. Bonds5

About N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide

N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide (PubChem CID 97165901) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
PubChem CID97165901
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
SMILESO=S(=O)(Cc1cccnc1)NC[C@@H]1CCCNC1
InChIInChI=1S/C12H19N3O2S/c16-18(17,10-12-4-2-6-14-8-12)15-9-11-3-1-5-13-7-11/h2,4,6,8,11,13,15H,1,3,5,7,9-10H2/t11-/m1/s1
InChIKeyPWDWSWATZCEECI-LLVKDONJSA-N
XLogP0.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine
CID 97165999
1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 97165900
N-[[(2R)-piperidin-2-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165898
N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide
CID 170285785
1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968347
1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 119968379
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
N-(2-piperidin-3-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119979495
N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119463159
N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide
CID 97166084
3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride
CID 71645608

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide?
The IUPAC name of N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide (CID 97165901) is N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide?
The canonical SMILES for N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide is O=S(=O)(Cc1cccnc1)NC[C@@H]1CCCNC1.
What is the InChIKey of N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide?
The InChIKey is PWDWSWATZCEECI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3O2S/c16-18(17,10-12-4-2-6-14-8-12)15-9-11-3-1-5-13-7-11/h2,4,6,8,11,13,15H,1,3,5,7,9-10H2/t11-/m1/s1.
What are the key properties of N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide?
N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide is sourced from PubChem (CID 97165901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).