N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide

C13H28N2O2S — CID 110403035

IUPACN-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C13H28N2O2S/c1-4-5-10-18(16,17)14-11-13(12(2)3)15-8-6-7-9-15/h12-14H,4-11H2,1-3H3
InChIKeyDSYVMUWOAYAMOI-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds8

About N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide

N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide (PubChem CID 110403035) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide
PubChem CID110403035
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C13H28N2O2S/c1-4-5-10-18(16,17)14-11-13(12(2)3)15-8-6-7-9-15/h12-14H,4-11H2,1-3H3
InChIKeyDSYVMUWOAYAMOI-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide
CID 110402901
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
2-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]ethanesulfonamide
CID 107651672
N-(4-methyl-2-pyrrolidin-1-ylpentyl)propane-1-sulfonamide
CID 110403539
N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine
CID 43771611
(2R)-2-(azepan-1-yl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methylbutan-1-amine
CID 99780884
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]sulfamoyl]propanoic acid
CID 61240639
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
CID 60568452
1-bromo-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide
CID 83092438
N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine
CID 43130097
N-[2-(azepan-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995972
N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide
CID 22772688

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide?
The IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide (CID 110403035) is N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCC(C(C)C)N1CCCC1.
What is the InChIKey of N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide?
The InChIKey is DSYVMUWOAYAMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-5-10-18(16,17)14-11-13(12(2)3)15-8-6-7-9-15/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide?
N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide is sourced from PubChem (CID 110403035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).