1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine

C8H14N4O2S — CID 62068447

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C8H14N4O2S/c1-6-8(4-10-11-6)15(13,14)12-3-2-7(9)5-12/h4,7H,2-3,5,9H2,1H3,(H,10,11)
InChIKeyXBIRVXUUACTJPI-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.56
Rot. Bonds2

About 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine

1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine (PubChem CID 62068447) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
PubChem CID62068447
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C8H14N4O2S/c1-6-8(4-10-11-6)15(13,14)12-3-2-7(9)5-12/h4,7H,2-3,5,9H2,1H3,(H,10,11)
InChIKeyXBIRVXUUACTJPI-UHFFFAOYSA-N
XLogP-0.56
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine (CID 62068447) is 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine is Cc1[nH]ncc1S(=O)(=O)N1CCC(N)C1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine?
The InChIKey is XBIRVXUUACTJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-6-8(4-10-11-6)15(13,14)12-3-2-7(9)5-12/h4,7H,2-3,5,9H2,1H3,(H,10,11).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine?
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine has a molecular weight of 230.29 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine is sourced from PubChem (CID 62068447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).