(3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol

C11H14N2O5S — CID 66291461

IUPAC(3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol
SMILESCc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H14N2O5S/c1-8-10(13(15)16)3-2-4-11(8)19(17,18)12-6-5-9(14)7-12/h2-4,9,14H,5-7H2,1H3/t9-/m1/s1
InChIKeyOELFMTDRWXKBNU-SECBINFHSA-N
MW286.31 g/mol
LogP0.66
Rot. Bonds3

About (3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol

(3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 66291461) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is (3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol
PubChem CID66291461
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name(3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol
SMILESCc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H14N2O5S/c1-8-10(13(15)16)3-2-4-11(8)19(17,18)12-6-5-9(14)7-12/h2-4,9,14H,5-7H2,1H3/t9-/m1/s1
InChIKeyOELFMTDRWXKBNU-SECBINFHSA-N
XLogP0.66
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-3-ol
CID 103896782
4-methyl-1-(2-methyl-3-nitrophenyl)sulfonylpiperidine
CID 35295727
1-(2-nitrophenyl)sulfonylpiperidin-3-ol
CID 3785315
[1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605350
3-methyl-1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-4-one
CID 114500124
3-methyl-1-(2-methyl-3-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119982077
N-[[1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990524
4-benzyl-1-(2-methyl-3-nitrophenyl)sulfonylpiperidine
CID 46573482
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
2,6-dimethyl-4-(2-methyl-3-nitrophenyl)sulfonylmorpholine
CID 42950856
N-[1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]ethanesulfonamide
CID 39659066

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol (CID 66291461) is (3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol is Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is OELFMTDRWXKBNU-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-8-10(13(15)16)3-2-4-11(8)19(17,18)12-6-5-9(14)7-12/h2-4,9,14H,5-7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 286.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66291461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).