(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C12H19ClN2O3S — CID 119962752

IUPAC(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1C.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-9-7-11(3-4-12(9)17-2)18(15,16)14-6-5-10(13)8-14;/h3-4,7,10H,5-6,8,13H2,1-2H3;1H/t10-;/m1./s1
InChIKeyBPLSSQQAWWEFIG-HNCPQSOCSA-N
MW306.81 g/mol
LogP1.15
Rot. Bonds3

About (3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119962752) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is (3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119962752
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1C.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-9-7-11(3-4-12(9)17-2)18(15,16)14-6-5-10(13)8-14;/h3-4,7,10H,5-6,8,13H2,1-2H3;1H/t10-;/m1./s1
InChIKeyBPLSSQQAWWEFIG-HNCPQSOCSA-N
XLogP1.15
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428
N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 115301671
(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962598
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 4598462
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 972845
(3S,4R)-1-(4-methoxy-3-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766926

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119962752) is (3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is COc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1C.Cl.
What is the InChIKey of (3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is BPLSSQQAWWEFIG-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-9-7-11(3-4-12(9)17-2)18(15,16)14-6-5-10(13)8-14;/h3-4,7,10H,5-6,8,13H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 306.81 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119962752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).