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

C14H30N2O2S — CID 110402901

IUPACN-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C(C)C)N1CCCCC1
InChIInChI=1S/C14H30N2O2S/c1-4-5-11-19(17,18)15-12-14(13(2)3)16-9-7-6-8-10-16/h13-15H,4-12H2,1-3H3
InChIKeyOMNBERXQTKCUFF-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.22
Rot. Bonds8

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

N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide (PubChem CID 110402901) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide
PubChem CID110402901
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C(C)C)N1CCCCC1
InChIInChI=1S/C14H30N2O2S/c1-4-5-11-19(17,18)15-12-14(13(2)3)16-9-7-6-8-10-16/h13-15H,4-12H2,1-3H3
InChIKeyOMNBERXQTKCUFF-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide
CID 110403035
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
(2R)-2-(azepan-1-yl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methylbutan-1-amine
CID 99780884
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-[2-(azepan-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995972
N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine
CID 43771611
4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402911
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
4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402904
1-bromo-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide
CID 83092438

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide?
The IUPAC name of N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide (CID 110402901) is N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCC(C(C)C)N1CCCCC1.
What is the InChIKey of N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide?
The InChIKey is OMNBERXQTKCUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-4-5-11-19(17,18)15-12-14(13(2)3)16-9-7-6-8-10-16/h13-15H,4-12H2,1-3H3.
What are the key properties of N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide?
N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.22, 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-piperidin-1-ylbutyl)butane-1-sulfonamide is sourced from PubChem (CID 110402901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).