(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C11H16ClFN2O3S — CID 119993531

IUPAC(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1F.Cl
InChIInChI=1S/C11H15FN2O3S.ClH/c1-17-11-3-2-9(6-10(11)12)18(15,16)14-5-4-8(13)7-14;/h2-3,6,8H,4-5,7,13H2,1H3;1H/t8-;/m0./s1
InChIKeyWEXNJVHKQVMZRR-QRPNPIFTSA-N
MW310.78 g/mol
LogP0.98
Rot. Bonds3

About (3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119993531) has the molecular formula C11H16ClFN2O3S and a molecular weight of 310.78 g/mol. Its IUPAC name is (3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119993531
Molecular FormulaC11H16ClFN2O3S
Molecular Weight310.78 g/mol
Exact Mass310.06
IUPAC Name(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1F.Cl
InChIInChI=1S/C11H15FN2O3S.ClH/c1-17-11-3-2-9(6-10(11)12)18(15,16)14-5-4-8(13)7-14;/h2-3,6,8H,4-5,7,13H2,1H3;1H/t8-;/m0./s1
InChIKeyWEXNJVHKQVMZRR-QRPNPIFTSA-N
XLogP0.98
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428
1-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977752
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732193
N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 115301671
(3R)-1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962846
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine
CID 120874368
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
(2S,3aS,7aR)-5-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 97388841
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119993531) is (3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is COc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1F.Cl.
What is the InChIKey of (3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is WEXNJVHKQVMZRR-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H15FN2O3S.ClH/c1-17-11-3-2-9(6-10(11)12)18(15,16)14-5-4-8(13)7-14;/h2-3,6,8H,4-5,7,13H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 310.78 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119993531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).