N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide

C13H27N3O2S — CID 106608209

IUPACN-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C13H27N3O2S/c1-3-15(11-13-5-4-8-14-13)19(17,18)16-9-6-12(2)7-10-16/h12-14H,3-11H2,1-2H3
InChIKeyGJCXUDZGTMMUCT-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.04
Rot. Bonds5

About N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide

N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106608209) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
PubChem CID106608209
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C13H27N3O2S/c1-3-15(11-13-5-4-8-14-13)19(17,18)16-9-6-12(2)7-10-16/h12-14H,3-11H2,1-2H3
InChIKeyGJCXUDZGTMMUCT-UHFFFAOYSA-N
XLogP1.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-N-(piperidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106630251
N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608896
3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608418
N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide
CID 63397143
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 106607328
N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106610223
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106608119
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608661
1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607994
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788
N-(diethylsulfamoyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106630194
N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide
CID 106630525

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide (CID 106608209) is N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide is CCN(CC1CCCN1)S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is GJCXUDZGTMMUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-3-15(11-13-5-4-8-14-13)19(17,18)16-9-6-12(2)7-10-16/h12-14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106608209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).