[1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine

C11H16ClN3O2S — CID 120777344

IUPAC[1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(S(=O)(=O)c2cncc(Cl)c2)C1
InChIInChI=1S/C11H16ClN3O2S/c1-11(7-13)2-3-15(8-11)18(16,17)10-4-9(12)5-14-6-10/h4-6H,2-3,7-8,13H2,1H3
InChIKeyLWRCDZQKGOSDHF-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.09
Rot. Bonds3

About [1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120777344) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is [1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120777344
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name[1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(S(=O)(=O)c2cncc(Cl)c2)C1
InChIInChI=1S/C11H16ClN3O2S/c1-11(7-13)2-3-15(8-11)18(16,17)10-4-9(12)5-14-6-10/h4-6H,2-3,7-8,13H2,1H3
InChIKeyLWRCDZQKGOSDHF-UHFFFAOYSA-N
XLogP1.09
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777526
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
[1-(4-bromo-3-chlorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778219
[3-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777216
[3-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777223
[1-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777955
[1-(3-chloro-4-methylsulfanylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777209
[1-[1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120778030
5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
CID 120777695
[1-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777233
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 120777230
[1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777756

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120777344) is [1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine is CC1(CN)CCN(S(=O)(=O)c2cncc(Cl)c2)C1.
What is the InChIKey of [1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is LWRCDZQKGOSDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-11(7-13)2-3-15(8-11)18(16,17)10-4-9(12)5-14-6-10/h4-6H,2-3,7-8,13H2,1H3.
What are the key properties of [1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 289.79 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120777344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).