[(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol

C15H24N2O5S — CID 50960968

IUPAC[(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol
SMILESCOc1ccc(OC)c(S(=O)(=O)N2C[C@H](N(C)C)C[C@H]2CO)c1
InChIInChI=1S/C15H24N2O5S/c1-16(2)11-7-12(10-18)17(9-11)23(19,20)15-8-13(21-3)5-6-14(15)22-4/h5-6,8,11-12,18H,7,9-10H2,1-4H3/t11-,12+/m1/s1
InChIKeySIUZERWLLQYXKT-NEPJUHHUSA-N
MW344.43 g/mol
LogP0.39
Rot. Bonds6

About [(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol

[(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol (PubChem CID 50960968) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is [(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol
PubChem CID50960968
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name[(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol
SMILESCOc1ccc(OC)c(S(=O)(=O)N2C[C@H](N(C)C)C[C@H]2CO)c1
InChIInChI=1S/C15H24N2O5S/c1-16(2)11-7-12(10-18)17(9-11)23(19,20)15-8-13(21-3)5-6-14(15)22-4/h5-6,8,11-12,18H,7,9-10H2,1-4H3/t11-,12+/m1/s1
InChIKeySIUZERWLLQYXKT-NEPJUHHUSA-N
XLogP0.39
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
[(2S,4S)-4-fluoro-1-(4-methoxy-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 128977252
3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 110290553
2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine
CID 51335834
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8804057
1-[(4aR,7aR)-1-(2,5-dimethoxyphenyl)sulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 46956605
[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212367
2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline
CID 110750681
(4aS,8aR)-4-(2,5-dimethoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 51984083
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
[(1S,5S,6R,7R)-3-(2,5-dimethoxyphenyl)sulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
CID 155505353
methyl 2-[2-(2,5-dimethoxyphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 46274604

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol (CID 50960968) is [(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol is COc1ccc(OC)c(S(=O)(=O)N2C[C@H](N(C)C)C[C@H]2CO)c1.
What is the InChIKey of [(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol?
The InChIKey is SIUZERWLLQYXKT-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-16(2)11-7-12(10-18)17(9-11)23(19,20)15-8-13(21-3)5-6-14(15)22-4/h5-6,8,11-12,18H,7,9-10H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of [(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol?
[(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol has a molecular weight of 344.43 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 50960968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).