N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide

C17H29N3O2S — CID 154770803

IUPACN-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide
SMILESCC(C)Cc1ccc(CN2CCC(N(C)S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C17H29N3O2S/c1-14(2)11-16-6-5-15(12-18-16)13-20-9-7-17(8-10-20)19(3)23(4,21)22/h5-6,12,14,17H,7-11,13H2,1-4H3
InChIKeyOEUHPSDETWAYRL-UHFFFAOYSA-N
MW339.51 g/mol
LogP2.14
Rot. Bonds6

About N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide

N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 154770803) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide
PubChem CID154770803
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC NameN-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide
SMILESCC(C)Cc1ccc(CN2CCC(N(C)S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C17H29N3O2S/c1-14(2)11-16-6-5-15(12-18-16)13-20-9-7-17(8-10-20)19(3)23(4,21)22/h5-6,12,14,17H,7-11,13H2,1-4H3
InChIKeyOEUHPSDETWAYRL-UHFFFAOYSA-N
XLogP2.14
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide with MolForge

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Related Compounds

2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine
CID 154780977
5-[(4-aminopiperidin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120834439
N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120839700
5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridin-2-amine
CID 104870271
1-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166268316
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
[6-(2-methylpropyl)-3-pyridinyl]methanamine
CID 53274665
N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 71986980
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 120837689
1-[3-fluoro-5-[[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 56838627
[5-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437200
6-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
CID 114613188

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide (CID 154770803) is N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide is CC(C)Cc1ccc(CN2CCC(N(C)S(C)(=O)=O)CC2)cn1.
What is the InChIKey of N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is OEUHPSDETWAYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-14(2)11-16-6-5-15(12-18-16)13-20-9-7-17(8-10-20)19(3)23(4,21)22/h5-6,12,14,17H,7-11,13H2,1-4H3.
What are the key properties of N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide?
N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 339.51 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 154770803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).