N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide

C13H21N3O2S — CID 171335942

IUPACN-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
SMILESCN(CC1CCN(c2ccccn2)CC1)S(C)(=O)=O
InChIInChI=1S/C13H21N3O2S/c1-15(19(2,17)18)11-12-6-9-16(10-7-12)13-5-3-4-8-14-13/h3-5,8,12H,6-7,9-11H2,1-2H3
InChIKeyXOFRNCWWWKKLHH-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.19
Rot. Bonds4

About N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide

N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide (PubChem CID 171335942) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
PubChem CID171335942
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
SMILESCN(CC1CCN(c2ccccn2)CC1)S(C)(=O)=O
InChIInChI=1S/C13H21N3O2S/c1-15(19(2,17)18)11-12-6-9-16(10-7-12)13-5-3-4-8-14-13/h3-5,8,12H,6-7,9-11H2,1-2H3
InChIKeyXOFRNCWWWKKLHH-UHFFFAOYSA-N
XLogP1.19
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide
CID 171702378
N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691567
3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine
CID 171070329
N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691557
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691551
N-[[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171690975
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
CID 71993309
2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119891442
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
2-amino-N-ethyl-2-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 120597131
N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71993295

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide (CID 171335942) is N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide is CN(CC1CCN(c2ccccn2)CC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
The InChIKey is XOFRNCWWWKKLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-15(19(2,17)18)11-12-6-9-16(10-7-12)13-5-3-4-8-14-13/h3-5,8,12H,6-7,9-11H2,1-2H3.
What are the key properties of N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide?
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 171335942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).