N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide

C18H38N2O2S — CID 70811795

IUPACN-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide
SMILESCCN1CC(C)(C)CC1CC(C)CC(C)(C)N(CC)S(C)(=O)=O
InChIInChI=1S/C18H38N2O2S/c1-9-19-14-17(4,5)13-16(19)11-15(3)12-18(6,7)20(10-2)23(8,21)22/h15-16H,9-14H2,1-8H3
InChIKeyHSXLLPIYQKUUPK-UHFFFAOYSA-N
MW346.58 g/mol
LogP3.58
Rot. Bonds8

About N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide

N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide (PubChem CID 70811795) has the molecular formula C18H38N2O2S and a molecular weight of 346.58 g/mol. Its IUPAC name is N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide
PubChem CID70811795
Molecular FormulaC18H38N2O2S
Molecular Weight346.58 g/mol
Exact Mass346.27
IUPAC NameN-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide
SMILESCCN1CC(C)(C)CC1CC(C)CC(C)(C)N(CC)S(C)(=O)=O
InChIInChI=1S/C18H38N2O2S/c1-9-19-14-17(4,5)13-16(19)11-15(3)12-18(6,7)20(10-2)23(8,21)22/h15-16H,9-14H2,1-8H3
InChIKeyHSXLLPIYQKUUPK-UHFFFAOYSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241834
(2S)-2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 57819413
(2R)-2-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 57819431
3-(3,3-Dimethylbutyl)-1-methylsulfonylpyrrolidine
CID 59148152
2-(2,2-Dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 59172238
2-Tert-butyl-3-(3,4,4-trimethylpentyl)-1,2-thiazolidine 1,1-dioxide
CID 70800075
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidin-2-yl]methyl]methanesulfonamide
CID 89900814
N-[4-[[di(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241685
N-methyl-N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]hexan-2-yl]methanesulfonamide
CID 118241717
N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241780
N-methyl-N-[2-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241787
N-methyl-N-[2-methyl-4-[[methyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241789

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide (CID 70811795) is N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide is CCN1CC(C)(C)CC1CC(C)CC(C)(C)N(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide?
The InChIKey is HSXLLPIYQKUUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2S/c1-9-19-14-17(4,5)13-16(19)11-15(3)12-18(6,7)20(10-2)23(8,21)22/h15-16H,9-14H2,1-8H3.
What are the key properties of N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide?
N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide has a molecular weight of 346.58 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[5-(1-ethyl-4,4-dimethylpyrrolidin-2-yl)-2,4-dimethylpentan-2-yl]methanesulfonamide is sourced from PubChem (CID 70811795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).