1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide

C13H26N2O2S — CID 79350234

IUPAC1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide
SMILESCC1(C)C(CNS(=O)(=O)CC2CCCN2)C1(C)C
InChIInChI=1S/C13H26N2O2S/c1-12(2)11(13(12,3)4)8-15-18(16,17)9-10-6-5-7-14-10/h10-11,14-15H,5-9H2,1-4H3
InChIKeyPQXKIOLFFLFQCT-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.34
Rot. Bonds5

About 1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide

1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide (PubChem CID 79350234) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide
PubChem CID79350234
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide
SMILESCC1(C)C(CNS(=O)(=O)CC2CCCN2)C1(C)C
InChIInChI=1S/C13H26N2O2S/c1-12(2)11(13(12,3)4)8-15-18(16,17)9-10-6-5-7-14-10/h10-11,14-15H,5-9H2,1-4H3
InChIKeyPQXKIOLFFLFQCT-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N-(1-methylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64688259
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79879019
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 105419192
N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79878932
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974331
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
CID 107164552
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 104828885
N-(3-cyclopentylpropyl)-1-piperidin-2-ylmethanesulfonamide
CID 106013597

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide?
The IUPAC name of 1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide (CID 79350234) is 1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide?
The canonical SMILES for 1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide is CC1(C)C(CNS(=O)(=O)CC2CCCN2)C1(C)C.
What is the InChIKey of 1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide?
The InChIKey is PQXKIOLFFLFQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12(2)11(13(12,3)4)8-15-18(16,17)9-10-6-5-7-14-10/h10-11,14-15H,5-9H2,1-4H3.
What are the key properties of 1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide?
1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide is sourced from PubChem (CID 79350234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).