N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide

C10H22N2O2S — CID 59641761

IUPACN-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(C)(C)C)C1)S(C)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)12-7-6-9(8-12)11(4)15(5,13)14/h9H,6-8H2,1-5H3
InChIKeyHQOFTKOVXJJHBH-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.75
Rot. Bonds2

About N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide

N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide (PubChem CID 59641761) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide
PubChem CID59641761
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(C)(C)C)C1)S(C)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)12-7-6-9(8-12)11(4)15(5,13)14/h9H,6-8H2,1-5H3
InChIKeyHQOFTKOVXJJHBH-UHFFFAOYSA-N
XLogP0.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide (CID 59641761) is N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide is CN(C1CCN(C(C)(C)C)C1)S(C)(=O)=O.
What is the InChIKey of N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide?
The InChIKey is HQOFTKOVXJJHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)12-7-6-9(8-12)11(4)15(5,13)14/h9H,6-8H2,1-5H3.
What are the key properties of N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide?
N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrrolidin-3-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 59641761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).