3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide

C16H26N2O4S — CID 166291453

IUPAC3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide
SMILESCOCC1CCN(S(=O)(=O)Nc2ccc(OC(C)(C)C)cc2)C1
InChIInChI=1S/C16H26N2O4S/c1-16(2,3)22-15-7-5-14(6-8-15)17-23(19,20)18-10-9-13(11-18)12-21-4/h5-8,13,17H,9-12H2,1-4H3
InChIKeyDGZRMTLIFXBMBW-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.49
Rot. Bonds6

About 3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide

3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide (PubChem CID 166291453) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide
PubChem CID166291453
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide
SMILESCOCC1CCN(S(=O)(=O)Nc2ccc(OC(C)(C)C)cc2)C1
InChIInChI=1S/C16H26N2O4S/c1-16(2,3)22-15-7-5-14(6-8-15)17-23(19,20)18-10-9-13(11-18)12-21-4/h5-8,13,17H,9-12H2,1-4H3
InChIKeyDGZRMTLIFXBMBW-UHFFFAOYSA-N
XLogP2.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline
CID 63979413
N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106588733
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-propylaniline
CID 64583155
4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide
CID 106057817
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one
CID 64597440
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine
CID 64581559
4-chloro-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 64569842
2-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylamino]ethyl]benzoic acid
CID 167819952

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide (CID 166291453) is 3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide is COCC1CCN(S(=O)(=O)Nc2ccc(OC(C)(C)C)cc2)C1.
What is the InChIKey of 3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide?
The InChIKey is DGZRMTLIFXBMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-16(2,3)22-15-7-5-14(6-8-15)17-23(19,20)18-10-9-13(11-18)12-21-4/h5-8,13,17H,9-12H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide?
3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide has a molecular weight of 342.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 166291453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).