N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide

C11H20N4O4S2 — CID 60958528

IUPACN-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C11H20N4O4S2/c1-9-11(8-12-14-9)21(18,19)15-6-4-3-5-10(15)7-13-20(2,16)17/h8,10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyQUEWOZZIQCXBHT-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.19
Rot. Bonds5

About N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 60958528) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID60958528
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC NameN-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C11H20N4O4S2/c1-9-11(8-12-14-9)21(18,19)15-6-4-3-5-10(15)7-13-20(2,16)17/h8,10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyQUEWOZZIQCXBHT-UHFFFAOYSA-N
XLogP-0.19
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]methanamine
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1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-one
CID 79553067
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol
CID 79559692
2,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 55039995
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643
5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
CID 63932853
4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
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[4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine
CID 80506146
4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 54877045
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965
N-[[2-(bromomethyl)cyclohexyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 114295432
4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide (CID 60958528) is N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide is Cc1[nH]ncc1S(=O)(=O)N1CCCCC1CNS(C)(=O)=O.
What is the InChIKey of N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is QUEWOZZIQCXBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-9-11(8-12-14-9)21(18,19)15-6-4-3-5-10(15)7-13-20(2,16)17/h8,10,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 336.44 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 60958528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).