N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide

C18H30N2O3S — CID 56512850

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCOCCN1CCCC1CNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H30N2O3S/c1-13-11-14(2)16(4)18(15(13)3)24(21,22)19-12-17-7-6-8-20(17)9-10-23-5/h11,17,19H,6-10,12H2,1-5H3
InChIKeyRNBVZABIPCEMTJ-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.31
Rot. Bonds7

About N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 56512850) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID56512850
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCOCCN1CCCC1CNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H30N2O3S/c1-13-11-14(2)16(4)18(15(13)3)24(21,22)19-12-17-7-6-8-20(17)9-10-23-5/h11,17,19H,6-10,12H2,1-5H3
InChIKeyRNBVZABIPCEMTJ-UHFFFAOYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 56514036
2,5-difluoro-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825248
2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 56513113
2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825249
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide
CID 52858023
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
CID 99816349
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 16887608
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 43109838
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
CID 95271489
4-amino-2,6-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 43257821
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 56512850) is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide is COCCN1CCCC1CNS(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is RNBVZABIPCEMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-13-11-14(2)16(4)18(15(13)3)24(21,22)19-12-17-7-6-8-20(17)9-10-23-5/h11,17,19H,6-10,12H2,1-5H3.
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 354.52 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 56512850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).