N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide

C13H26N2O2S — CID 106630038

IUPACN-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)15(13-7-8-13)11-12-6-4-5-9-14-12/h12-14H,2-11H2,1H3
InChIKeyASMCUOCRGUZTJS-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.72
Rot. Bonds7

About N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide

N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide (PubChem CID 106630038) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide
PubChem CID106630038
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)15(13-7-8-13)11-12-6-4-5-9-14-12/h12-14H,2-11H2,1H3
InChIKeyASMCUOCRGUZTJS-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-cyclopropyl-N-(piperidin-2-ylmethyl)methanesulfonamide
CID 106630084
N-cyclopropyl-N-ethyl-2-piperidin-2-ylethanesulfonamide
CID 54972623
N-(dimethylsulfamoyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106630069
N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide
CID 118527460
N-methyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630421
N-(dipropylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599557
N-cyclopropyl-N-(piperidin-2-ylmethyl)oxane-4-sulfonamide
CID 106630051
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106635862
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106599585
N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106599566

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide (CID 106630038) is N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CC1CCCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide?
The InChIKey is ASMCUOCRGUZTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)15(13-7-8-13)11-12-6-4-5-9-14-12/h12-14H,2-11H2,1H3.
What are the key properties of N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide?
N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 106630038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).