N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide

C13H26N2O2S — CID 54972450

IUPACN-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-2-3-10-15(13-4-5-13)18(16,17)11-12-6-8-14-9-7-12/h12-14H,2-11H2,1H3
InChIKeyYLFMYJHILOLIKB-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.58
Rot. Bonds7

About N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide

N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide (PubChem CID 54972450) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide
PubChem CID54972450
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-2-3-10-15(13-4-5-13)18(16,17)11-12-6-8-14-9-7-12/h12-14H,2-11H2,1H3
InChIKeyYLFMYJHILOLIKB-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide
CID 54974040
2-[butyl(cyclopropyl)sulfamoyl]acetic acid
CID 60950849
N-(dipropylsulfamoyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79702592
4-(heptylsulfonylmethyl)piperidine
CID 82182021
N-butyl-N-(3-piperidin-4-ylpropyl)cyclopropanamine
CID 62212523
N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 118527469
N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide
CID 118527460
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
1-cyclopropyl-N-methyl-N-piperidin-4-ylmethanesulfonamide;hydrochloride
CID 119998743
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512
N-(2-hydroxyethyl)-N-pentan-3-yl-1-piperidin-4-ylmethanesulfonamide
CID 54999169
N-butyl-N-cyclopropyl-3-piperidin-4-ylpropanamide
CID 62210210

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide (CID 54972450) is N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide is CCCCN(C1CC1)S(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is YLFMYJHILOLIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-3-10-15(13-4-5-13)18(16,17)11-12-6-8-14-9-7-12/h12-14H,2-11H2,1H3.
What are the key properties of N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide?
N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 54972450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).