(2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide

C16H26N2O3S — CID 97260415

IUPAC(2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
SMILESCOc1ccc([C@H]2CCCN2S(=O)(=O)N(C)CC(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-13(2)12-17(3)22(19,20)18-11-5-6-16(18)14-7-9-15(21-4)10-8-14/h7-10,13,16H,5-6,11-12H2,1-4H3/t16-/m1/s1
InChIKeyNMZPRRGSQAISSW-MRXNPFEDSA-N
MW326.46 g/mol
LogP2.66
Rot. Bonds6

About (2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide

(2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide (PubChem CID 97260415) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
PubChem CID97260415
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
SMILESCOc1ccc([C@H]2CCCN2S(=O)(=O)N(C)CC(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-13(2)12-17(3)22(19,20)18-11-5-6-16(18)14-7-9-15(21-4)10-8-14/h7-10,13,16H,5-6,11-12H2,1-4H3/t16-/m1/s1
InChIKeyNMZPRRGSQAISSW-MRXNPFEDSA-N
XLogP2.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-methylazepane-1-sulfonamide
CID 35317057
(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 94080813
1-(4-chlorobutylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 116815217
1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697
(2R)-1-[(4-fluorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)pyrrolidine
CID 32676827
N-(2-cyanoethyl)-2-(3-methoxyphenyl)-N-methylpyrrolidine-1-sulfonamide
CID 134060178
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
2-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
CID 46799982
methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
CID 18148414
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 134017312
3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 30287737

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide (CID 97260415) is (2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide is COc1ccc([C@H]2CCCN2S(=O)(=O)N(C)CC(C)C)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The InChIKey is NMZPRRGSQAISSW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13(2)12-17(3)22(19,20)18-11-5-6-16(18)14-7-9-15(21-4)10-8-14/h7-10,13,16H,5-6,11-12H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
(2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 97260415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).