(3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride

C15H20ClN3O2S — CID 120777285

IUPAC(3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
SMILESCC1(CN)CCN(S(=O)(=O)c2cccc3cccnc23)C1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-15(10-16)7-9-18(11-15)21(19,20)13-6-2-4-12-5-3-8-17-14(12)13;/h2-6,8H,7,9-11,16H2,1H3;1H
InChIKeyJRLXUFXLDMIIGU-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.02
Rot. Bonds3

About (3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride

(3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride (PubChem CID 120777285) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is (3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
PubChem CID120777285
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name(3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
SMILESCC1(CN)CCN(S(=O)(=O)c2cccc3cccnc23)C1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-15(10-16)7-9-18(11-15)21(19,20)13-6-2-4-12-5-3-8-17-14(12)13;/h2-6,8H,7,9-11,16H2,1H3;1H
InChIKeyJRLXUFXLDMIIGU-UHFFFAOYSA-N
XLogP2.02
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The IUPAC name of (3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride (CID 120777285) is (3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The canonical SMILES for (3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride is CC1(CN)CCN(S(=O)(=O)c2cccc3cccnc23)C1.Cl.
What is the InChIKey of (3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The InChIKey is JRLXUFXLDMIIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c1-15(10-16)7-9-18(11-15)21(19,20)13-6-2-4-12-5-3-8-17-14(12)13;/h2-6,8H,7,9-11,16H2,1H3;1H.
What are the key properties of (3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
(3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 120777285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).