[1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine

C10H18N4O2S — CID 120711614

IUPAC[1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCCn1nccc1S(=O)(=O)N1CCCC1CN
InChIInChI=1S/C10H18N4O2S/c1-2-13-10(5-6-12-13)17(15,16)14-7-3-4-9(14)8-11/h5-6,9H,2-4,7-8,11H2,1H3
InChIKeyCRDJAOAKYJGWRE-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.01
Rot. Bonds4

About [1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine

[1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 120711614) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is [1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID120711614
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name[1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCCn1nccc1S(=O)(=O)N1CCCC1CN
InChIInChI=1S/C10H18N4O2S/c1-2-13-10(5-6-12-13)17(15,16)14-7-3-4-9(14)8-11/h5-6,9H,2-4,7-8,11H2,1H3
InChIKeyCRDJAOAKYJGWRE-UHFFFAOYSA-N
XLogP0.01
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine
CID 113444053
[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 114172496
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
[(2R)-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-2-yl]methanamine
CID 97162685
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
[1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988531
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
[1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 120875357
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284421
1-(2-ethylpyrazol-3-yl)sulfonyl-1,4-diazepane
CID 120706967

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine (CID 120711614) is [1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine is CCn1nccc1S(=O)(=O)N1CCCC1CN.
What is the InChIKey of [1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is CRDJAOAKYJGWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-2-13-10(5-6-12-13)17(15,16)14-7-3-4-9(14)8-11/h5-6,9H,2-4,7-8,11H2,1H3.
What are the key properties of [1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine?
[1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 258.35 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 120711614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).