N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide

C11H23N3O2S — CID 172908915

IUPACN-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCN1CCCC1)C1CNC1
InChIInChI=1S/C11H23N3O2S/c1-2-17(15,16)14(11-9-12-10-11)8-7-13-5-3-4-6-13/h11-12H,2-10H2,1H3
InChIKeyQUSJLSGMSIKGLC-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.29
Rot. Bonds6

About N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide

N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide (PubChem CID 172908915) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide
PubChem CID172908915
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCN1CCCC1)C1CNC1
InChIInChI=1S/C11H23N3O2S/c1-2-17(15,16)14(11-9-12-10-11)8-7-13-5-3-4-6-13/h11-12H,2-10H2,1H3
InChIKeyQUSJLSGMSIKGLC-UHFFFAOYSA-N
XLogP-0.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 118527469
N-piperidin-3-yl-N-propylethanesulfonamide
CID 60806396
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 146065088
N-ethyl-N-(2-piperidin-1-ylethyl)pyrrolidin-3-amine
CID 63299869
N-(azetidin-3-yl)-N-propylmorpholine-4-sulfonamide
CID 66216682
N-(diethylsulfamoyl)-N-propylazetidin-3-amine
CID 66214667
N-(azetidin-3-yl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 66214864
N-(2-morpholin-4-ylethyl)-N-propylazetidin-3-amine
CID 66215890
N-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 59289522
2-(azetidin-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 116680014
N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine
CID 66213871

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide (CID 172908915) is N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide is CCS(=O)(=O)N(CCN1CCCC1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide?
The InChIKey is QUSJLSGMSIKGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-2-17(15,16)14(11-9-12-10-11)8-7-13-5-3-4-6-13/h11-12H,2-10H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide?
N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide has a molecular weight of 261.39 g/mol, XLogP of -0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanesulfonamide is sourced from PubChem (CID 172908915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).