3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide

C13H28N2O2S — CID 63855512

IUPAC3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)CCC(C)C
InChIInChI=1S/C13H28N2O2S/c1-4-10-15(13-5-8-14-9-6-13)18(16,17)11-7-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyGVKGPFIUZALVAC-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds7

About 3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide

3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide (PubChem CID 63855512) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
PubChem CID63855512
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)CCC(C)C
InChIInChI=1S/C13H28N2O2S/c1-4-10-15(13-5-8-14-9-6-13)18(16,17)11-7-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyGVKGPFIUZALVAC-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide
CID 119993992
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
CID 119993802
N-propyl-N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 119976707
N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide
CID 80667163
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
CID 63857314
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanethioamide
CID 63857330
2,6-dimethyl-N-piperidin-4-yl-N-propylmorpholine-4-sulfonamide;hydrochloride
CID 119993696
N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 118527469
2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
CID 79014657
1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119993752
1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride
CID 119993751

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide?
The IUPAC name of 3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide (CID 63855512) is 3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide?
The canonical SMILES for 3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide is CCCN(C1CCNCC1)S(=O)(=O)CCC(C)C.
What is the InChIKey of 3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide?
The InChIKey is GVKGPFIUZALVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-10-15(13-5-8-14-9-6-13)18(16,17)11-7-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide?
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 63855512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).