N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide

C13H28N2O2S — CID 106631296

IUPACN-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC)CC1CCCNC1
InChIInChI=1S/C13H28N2O2S/c1-3-5-10-18(16,17)15(9-4-2)12-13-7-6-8-14-11-13/h13-14H,3-12H2,1-2H3
InChIKeyRQUWRNAEAPRQCD-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds8

About N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide

N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide (PubChem CID 106631296) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
PubChem CID106631296
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC)CC1CCCNC1
InChIInChI=1S/C13H28N2O2S/c1-3-5-10-18(16,17)15(9-4-2)12-13-7-6-8-14-11-13/h13-14H,3-12H2,1-2H3
InChIKeyRQUWRNAEAPRQCD-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

1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631342
1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631368
3-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631336
N-(piperidin-3-ylmethyl)-N-propylcyclopentanesulfonamide
CID 106631385
3-(butylsulfonylmethyl)piperidine
CID 82182109
3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631308
N-(piperidin-4-ylmethyl)-N-propylpropane-1-sulfonamide
CID 79716434
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
N-(2-hydroxyethyl)-1-piperidin-3-yl-N-propylmethanesulfonamide
CID 54972143
N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106638991
N-(piperidin-3-ylmethyl)-N-propyloctanamide
CID 106628397
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide (CID 106631296) is N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide is CCCCS(=O)(=O)N(CCC)CC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide?
The InChIKey is RQUWRNAEAPRQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-3-5-10-18(16,17)15(9-4-2)12-13-7-6-8-14-11-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide?
N-(piperidin-3-ylmethyl)-N-propylbutane-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-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 106631296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).