1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride

C8H15ClN4O2S — CID 120708376

IUPAC1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.Cn1nccc1S(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C8H14N4O2S.ClH/c1-11-8(2-4-10-11)15(13,14)12-5-3-7(9)6-12;/h2,4,7H,3,5-6,9H2,1H3;1H
InChIKeyRSVBNPDERQSDKD-UHFFFAOYSA-N
MW266.75 g/mol
LogP-0.44
Rot. Bonds2

About 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride

1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 120708376) has the molecular formula C8H15ClN4O2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID120708376
Molecular FormulaC8H15ClN4O2S
Molecular Weight266.75 g/mol
Exact Mass266.06
IUPAC Name1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.Cn1nccc1S(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C8H14N4O2S.ClH/c1-11-8(2-4-10-11)15(13,14)12-5-3-7(9)6-12;/h2,4,7H,3,5-6,9H2,1H3;1H
InChIKeyRSVBNPDERQSDKD-UHFFFAOYSA-N
XLogP-0.44
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 120708376) is 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.Cn1nccc1S(=O)(=O)N1CCC(N)C1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is RSVBNPDERQSDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S.ClH/c1-11-8(2-4-10-11)15(13,14)12-5-3-7(9)6-12;/h2,4,7H,3,5-6,9H2,1H3;1H.
What are the key properties of 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 266.75 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120708376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).