(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C13H21ClN2O4S — CID 119962598

IUPAC(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)N2CC[C@@H](N)C2)cc1OC.Cl
InChIInChI=1S/C13H20N2O4S.ClH/c1-9-6-11(18-2)12(19-3)7-13(9)20(16,17)15-5-4-10(14)8-15;/h6-7,10H,4-5,8,14H2,1-3H3;1H/t10-;/m1./s1
InChIKeyQSUUTVLRXFGVOU-HNCPQSOCSA-N
MW336.84 g/mol
LogP1.16
Rot. Bonds4

About (3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119962598) has the molecular formula C13H21ClN2O4S and a molecular weight of 336.84 g/mol. Its IUPAC name is (3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119962598
Molecular FormulaC13H21ClN2O4S
Molecular Weight336.84 g/mol
Exact Mass336.09
IUPAC Name(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)N2CC[C@@H](N)C2)cc1OC.Cl
InChIInChI=1S/C13H20N2O4S.ClH/c1-9-6-11(18-2)12(19-3)7-13(9)20(16,17)15-5-4-10(14)8-15;/h6-7,10H,4-5,8,14H2,1-3H3;1H/t10-;/m1./s1
InChIKeyQSUUTVLRXFGVOU-HNCPQSOCSA-N
XLogP1.16
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972005
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974814
(3S)-1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 104976424
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677
(3R)-1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine
CID 120706863
1-(2-methoxy-5-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971570
ethyl 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 35291596
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-3-yl]azepane
CID 86900555
cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone
CID 100762109
(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine
CID 94340271

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119962598) is (3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is COc1cc(C)c(S(=O)(=O)N2CC[C@@H](N)C2)cc1OC.Cl.
What is the InChIKey of (3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is QSUUTVLRXFGVOU-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H20N2O4S.ClH/c1-9-6-11(18-2)12(19-3)7-13(9)20(16,17)15-5-4-10(14)8-15;/h6-7,10H,4-5,8,14H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119962598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).