N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide

C11H22N2O3S — CID 131892402

IUPACN-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide
SMILESCN(CC1(CO)CCC1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H22N2O3S/c1-12(9-11(10-14)5-4-6-11)17(15,16)13-7-2-3-8-13/h14H,2-10H2,1H3
InChIKeyAGNSTXAGEMFTSY-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.42
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide (PubChem CID 131892402) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide
PubChem CID131892402
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide
SMILESCN(CC1(CO)CCC1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H22N2O3S/c1-12(9-11(10-14)5-4-6-11)17(15,16)13-7-2-3-8-13/h14H,2-10H2,1H3
InChIKeyAGNSTXAGEMFTSY-UHFFFAOYSA-N
XLogP0.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide (CID 131892402) is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide is CN(CC1(CO)CCC1)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is AGNSTXAGEMFTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-12(9-11(10-14)5-4-6-11)17(15,16)13-7-2-3-8-13/h14H,2-10H2,1H3.
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide?
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 131892402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).