N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine

C12H22N4O2S — CID 63854886

IUPACN-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(S(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C12H22N4O2S/c1-3-13-10(2)11-5-4-6-16(9-11)19(17,18)12-7-14-15-8-12/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyMAUPOERESNQMHM-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.81
Rot. Bonds5

About N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine

N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine (PubChem CID 63854886) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine
PubChem CID63854886
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(S(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C12H22N4O2S/c1-3-13-10(2)11-5-4-6-16(9-11)19(17,18)12-7-14-15-8-12/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyMAUPOERESNQMHM-UHFFFAOYSA-N
XLogP0.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63852610
N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
CID 115300228
N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63853142
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine
CID 167911154
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
CID 114510125
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155
N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine
CID 103413649
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one
CID 114508574
(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 124972358
4-(chloromethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 63400920

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine (CID 63854886) is N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine is CCNC(C)C1CCCN(S(=O)(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine?
The InChIKey is MAUPOERESNQMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-13-10(2)11-5-4-6-16(9-11)19(17,18)12-7-14-15-8-12/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine?
N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine has a molecular weight of 286.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 63854886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).