N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide

C11H24N2O2S — CID 110753602

IUPACN-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CCN1CCCC1
InChIInChI=1S/C11H24N2O2S/c1-3-4-11-16(14,15)12(2)9-10-13-7-5-6-8-13/h3-11H2,1-2H3
InChIKeyNFDGYCFQZOFLFA-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.14
Rot. Bonds7

About N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide

N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide (PubChem CID 110753602) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide
PubChem CID110753602
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CCN1CCCC1
InChIInChI=1S/C11H24N2O2S/c1-3-4-11-16(14,15)12(2)9-10-13-7-5-6-8-13/h3-11H2,1-2H3
InChIKeyNFDGYCFQZOFLFA-UHFFFAOYSA-N
XLogP1.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359858
1-Propylsulfonylpyrrolidine
CID 303057
1-Butylsulfonylpyrrolidine
CID 303063
N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 51359860
2-Butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359861
N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 51360716
2-Butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51360718
2-[4-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
CID 51360720
3-(1-Methylpyrrolidin-1-ium-1-yl)propane-1-sulfonic acid
CID 87763374
N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide
CID 99836720
N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine
CID 122139905
1-methyl-4-[(3S)-1-propylsulfonylpyrrolidin-3-yl]piperazine
CID 164636576

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide?
The IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide (CID 110753602) is N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide?
The canonical SMILES for N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(C)CCN1CCCC1.
What is the InChIKey of N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide?
The InChIKey is NFDGYCFQZOFLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-4-11-16(14,15)12(2)9-10-13-7-5-6-8-13/h3-11H2,1-2H3.
What are the key properties of N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide?
N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyrrolidin-1-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 110753602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).