1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine

C13H24N4O2S — CID 63255037

IUPAC1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1C(C)N
InChIInChI=1S/C13H24N4O2S/c1-9(14)12-7-5-6-8-17(12)20(18,19)13-10(2)15-16(4)11(13)3/h9,12H,5-8,14H2,1-4H3
InChIKeyBPIDYDIIYGEADN-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.93
Rot. Bonds3

About 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine

1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine (PubChem CID 63255037) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
PubChem CID63255037
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1C(C)N
InChIInChI=1S/C13H24N4O2S/c1-9(14)12-7-5-6-8-17(12)20(18,19)13-10(2)15-16(4)11(13)3/h9,12H,5-8,14H2,1-4H3
InChIKeyBPIDYDIIYGEADN-UHFFFAOYSA-N
XLogP0.93
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
CID 62061770
2-(2-bromoethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 80671277
2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 87052111
3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584705
1-[1-(2,3-dimethyl-6-nitrophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 119965506
4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-3,5-difluorobenzonitrile;hydrochloride
CID 167767086
(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965497
[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol
CID 105358382
2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121184119
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 113282433
1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965400

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine (CID 63255037) is 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1C(C)N.
What is the InChIKey of 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is BPIDYDIIYGEADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-9(14)12-7-5-6-8-17(12)20(18,19)13-10(2)15-16(4)11(13)3/h9,12H,5-8,14H2,1-4H3.
What are the key properties of 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 300.43 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 63255037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).