N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine

C13H24N4O3S — CID 106590018

IUPACN-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn[nH]c1S(=O)(=O)N1CCCC(COC)C1
InChIInChI=1S/C13H24N4O3S/c1-3-14-7-12-8-15-16-13(12)21(18,19)17-6-4-5-11(9-17)10-20-2/h8,11,14H,3-7,9-10H2,1-2H3,(H,15,16)
InChIKeyDATJSIJVWOBENU-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.57
Rot. Bonds7

About N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine

N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 106590018) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID106590018
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC NameN-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn[nH]c1S(=O)(=O)N1CCCC(COC)C1
InChIInChI=1S/C13H24N4O3S/c1-3-14-7-12-8-15-16-13(12)21(18,19)17-6-4-5-11(9-17)10-20-2/h8,11,14H,3-7,9-10H2,1-2H3,(H,15,16)
InChIKeyDATJSIJVWOBENU-UHFFFAOYSA-N
XLogP0.57
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 114551758
4-(ethylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106094891
N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106588733
[5-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyrimidin-2-yl]hydrazine
CID 106587539
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol
CID 106589910
N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106075100
N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
CID 106588741
N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methanamine
CID 103504276
3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016068
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106026928
4-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106015085

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine (CID 106590018) is N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine is CCNCc1cn[nH]c1S(=O)(=O)N1CCCC(COC)C1.
What is the InChIKey of N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is DATJSIJVWOBENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-3-14-7-12-8-15-16-13(12)21(18,19)17-6-4-5-11(9-17)10-20-2/h8,11,14H,3-7,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine?
N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 316.43 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106590018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).