N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide

C15H31N3O2S — CID 106631107

IUPACN-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide
SMILESCCN(CC1CCCNC1)S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C15H31N3O2S/c1-4-17(12-15-6-5-7-16-9-15)21(19,20)18-10-13(2)8-14(3)11-18/h13-16H,4-12H2,1-3H3
InChIKeyFHUQXBZTHWNBOG-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.53
Rot. Bonds5

About N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide

N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106631107) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide
PubChem CID106631107
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide
SMILESCCN(CC1CCCNC1)S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C15H31N3O2S/c1-4-17(12-15-6-5-7-16-9-15)21(19,20)18-10-13(2)8-14(3)11-18/h13-16H,4-12H2,1-3H3
InChIKeyFHUQXBZTHWNBOG-UHFFFAOYSA-N
XLogP1.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608418
2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid
CID 106631065
N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106631158
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636866
N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106610223
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631091
N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide
CID 106631087
3-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631336
N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106638991
N-(piperidin-3-ylmethyl)-N-propylcyclopentanesulfonamide
CID 106631385
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide (CID 106631107) is N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide is CCN(CC1CCCNC1)S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is FHUQXBZTHWNBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-4-17(12-15-6-5-7-16-9-15)21(19,20)18-10-13(2)8-14(3)11-18/h13-16H,4-12H2,1-3H3.
What are the key properties of N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide?
N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106631107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).