3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine

C11H20N4O2S — CID 113444053

IUPAC3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine
SMILESCn1nccc1S(=O)(=O)N1CCCC1CCCN
InChIInChI=1S/C11H20N4O2S/c1-14-11(6-8-13-14)18(16,17)15-9-3-5-10(15)4-2-7-12/h6,8,10H,2-5,7,9,12H2,1H3
InChIKeyWLKGZCKPMJHYMM-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.31
Rot. Bonds5

About 3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine

3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine (PubChem CID 113444053) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine
PubChem CID113444053
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine
SMILESCn1nccc1S(=O)(=O)N1CCCC1CCCN
InChIInChI=1S/C11H20N4O2S/c1-14-11(6-8-13-14)18(16,17)15-9-3-5-10(15)4-2-7-12/h6,8,10H,2-5,7,9,12H2,1H3
InChIKeyWLKGZCKPMJHYMM-UHFFFAOYSA-N
XLogP0.31
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-1-(2-methylpyrazol-3-yl)sulfonylazepane
CID 116639822
[1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 120711614
(1S)-2-[(2R)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 124739947
2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 104710716
2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
CID 104709969
2-isocyanato-1-(2-methylpyrazol-3-yl)sulfonylpiperidine
CID 104709999
3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine
CID 63767384
N-(2-aminoethyl)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxamide
CID 104710243
3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine
CID 63767385
3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
CID 63765660
[4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
CID 114960765
4-(methoxymethyl)-1-(2-methylpyrazol-3-yl)sulfonylazepane
CID 139013446

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine (CID 113444053) is 3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine is Cn1nccc1S(=O)(=O)N1CCCC1CCCN.
What is the InChIKey of 3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine?
The InChIKey is WLKGZCKPMJHYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-14-11(6-8-13-14)18(16,17)15-9-3-5-10(15)4-2-7-12/h6,8,10H,2-5,7,9,12H2,1H3.
What are the key properties of 3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine?
3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine has a molecular weight of 272.37 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 113444053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).