N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide

C16H30N4O2S — CID 56747380

IUPACN-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
SMILESCC(C)(C)c1cc(CN2CCCC(CCNS(C)(=O)=O)C2)[nH]n1
InChIInChI=1S/C16H30N4O2S/c1-16(2,3)15-10-14(18-19-15)12-20-9-5-6-13(11-20)7-8-17-23(4,21)22/h10,13,17H,5-9,11-12H2,1-4H3,(H,18,19)
InChIKeyMGTCNGLTULEXRR-UHFFFAOYSA-N
MW342.51 g/mol
LogP1.86
Rot. Bonds6

About N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide

N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide (PubChem CID 56747380) has the molecular formula C16H30N4O2S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
PubChem CID56747380
Molecular FormulaC16H30N4O2S
Molecular Weight342.51 g/mol
Exact Mass342.21
IUPAC NameN-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
SMILESCC(C)(C)c1cc(CN2CCCC(CCNS(C)(=O)=O)C2)[nH]n1
InChIInChI=1S/C16H30N4O2S/c1-16(2,3)15-10-14(18-19-15)12-20-9-5-6-13(11-20)7-8-17-23(4,21)22/h10,13,17H,5-9,11-12H2,1-4H3,(H,18,19)
InChIKeyMGTCNGLTULEXRR-UHFFFAOYSA-N
XLogP1.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide
CID 71926947
3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 71927049
3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine
CID 71927051
1-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-4-methylpiperidine-4-carbonitrile
CID 77086208
4-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]piperazine-1-sulfonamide
CID 77088565
1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
CID 164636403
N-[2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 71927084
3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide
CID 71927087
(3S)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 95840786
(3R)-1-methylsulfonyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 95840787
3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide
CID 96514092
3-[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propane-1-sulfonamide
CID 96514093

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide (CID 56747380) is N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide is CC(C)(C)c1cc(CN2CCCC(CCNS(C)(=O)=O)C2)[nH]n1.
What is the InChIKey of N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
The InChIKey is MGTCNGLTULEXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2S/c1-16(2,3)15-10-14(18-19-15)12-20-9-5-6-13(11-20)7-8-17-23(4,21)22/h10,13,17H,5-9,11-12H2,1-4H3,(H,18,19).
What are the key properties of N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide has a molecular weight of 342.51 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 56747380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).