N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide

C17H29N3O2S — CID 124846378

IUPACN,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCCC[C@@H]1CCc1ccccn1
InChIInChI=1S/C17H29N3O2S/c1-19(2)23(21,22)15-7-14-20-13-6-4-9-17(20)11-10-16-8-3-5-12-18-16/h3,5,8,12,17H,4,6-7,9-11,13-15H2,1-2H3/t17-/m1/s1
InChIKeyIRMPVMCBATZYOH-QGZVFWFLSA-N
MW339.50 g/mol
LogP2.15
Rot. Bonds8

About N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide

N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide (PubChem CID 124846378) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide
PubChem CID124846378
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC NameN,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCCC[C@@H]1CCc1ccccn1
InChIInChI=1S/C17H29N3O2S/c1-19(2)23(21,22)15-7-14-20-13-6-4-9-17(20)11-10-16-8-3-5-12-18-16/h3,5,8,12,17H,4,6-7,9-11,13-15H2,1-2H3/t17-/m1/s1
InChIKeyIRMPVMCBATZYOH-QGZVFWFLSA-N
XLogP2.15
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-6-[2-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine
CID 124948158
2-[2-[(2S)-1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-2-yl]ethyl]pyridine
CID 124758900
3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 95340423
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-amine
CID 63763018
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468527
2-[2-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]ethyl]pyridine
CID 29214676
2-[2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-2-yl]ethyl]pyridine
CID 77096975
N-(2-fluorophenyl)-3-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide
CID 124755302
N-(2-fluorophenyl)-3-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide
CID 91842321
1-morpholin-4-yl-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 124844881
N-pyridin-3-yl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide
CID 124756224
2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine
CID 71215497

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide (CID 124846378) is N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1CCCC[C@@H]1CCc1ccccn1.
What is the InChIKey of N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide?
The InChIKey is IRMPVMCBATZYOH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-19(2)23(21,22)15-7-14-20-13-6-4-9-17(20)11-10-16-8-3-5-12-18-16/h3,5,8,12,17H,4,6-7,9-11,13-15H2,1-2H3/t17-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide?
N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide has a molecular weight of 339.50 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 124846378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).