N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide

C14H20F3N3O2S — CID 171702378

IUPACN-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide
SMILESCN(CC1CCN(c2ccc(C(F)(F)F)cn2)CC1)S(C)(=O)=O
InChIInChI=1S/C14H20F3N3O2S/c1-19(23(2,21)22)10-11-5-7-20(8-6-11)13-4-3-12(9-18-13)14(15,16)17/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyIQNCJJQHDQOVPD-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide

N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 171702378) has the molecular formula C14H20F3N3O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide
PubChem CID171702378
Molecular FormulaC14H20F3N3O2S
Molecular Weight351.39 g/mol
Exact Mass351.12
IUPAC NameN-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide
SMILESCN(CC1CCN(c2ccc(C(F)(F)F)cn2)CC1)S(C)(=O)=O
InChIInChI=1S/C14H20F3N3O2S/c1-19(23(2,21)22)10-11-5-7-20(8-6-11)13-4-3-12(9-18-13)14(15,16)17/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyIQNCJJQHDQOVPD-UHFFFAOYSA-N
XLogP2.21
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691567
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
1-(cyclopropylmethyl)-1-propyl-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 87003728
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
N-[[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691557
N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide
CID 110086636
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691551

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide (CID 171702378) is N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide is CN(CC1CCN(c2ccc(C(F)(F)F)cn2)CC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is IQNCJJQHDQOVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2S/c1-19(23(2,21)22)10-11-5-7-20(8-6-11)13-4-3-12(9-18-13)14(15,16)17/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide?
N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 2.21, 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-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 171702378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).