N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide

C11H24N2O2S — CID 104828885

IUPACN-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCC(NS(=O)(=O)CC1CCCN1)C(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-9(11(2,3)4)13-16(14,15)8-10-6-5-7-12-10/h9-10,12-13H,5-8H2,1-4H3
InChIKeyLZDVFPYXRTXQTJ-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.09
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 104828885) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID104828885
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCC(NS(=O)(=O)CC1CCCN1)C(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-9(11(2,3)4)13-16(14,15)8-10-6-5-7-12-10/h9-10,12-13H,5-8H2,1-4H3
InChIKeyLZDVFPYXRTXQTJ-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64641695
N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973926
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N-(1-methylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64688259
1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide
CID 79350234
N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide
CID 102699220
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
2-(3-methylbutylsulfonylmethyl)pyrrolidine
CID 115071189
N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64923611
N-(1-methylpiperidin-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972072
N-(2,2-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79879019
(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
CID 97301330

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 104828885) is N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide is CC(NS(=O)(=O)CC1CCCN1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is LZDVFPYXRTXQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(11(2,3)4)13-16(14,15)8-10-6-5-7-12-10/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 104828885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).