N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide

C6H14N2O2S — CID 79684935

IUPACN-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CCNC1
InChIInChI=1S/C6H14N2O2S/c1-2-11(9,10)8-6-3-4-7-5-6/h6-8H,2-5H2,1H3/t6-/m1/s1
InChIKeyJROLNDVWBIDZNB-ZCFIWIBFSA-N
MW178.26 g/mol
LogP-0.71
Rot. Bonds3

About N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide

N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide (PubChem CID 79684935) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
PubChem CID79684935
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CCNC1
InChIInChI=1S/C6H14N2O2S/c1-2-11(9,10)8-6-3-4-7-5-6/h6-8H,2-5H2,1H3/t6-/m1/s1
InChIKeyJROLNDVWBIDZNB-ZCFIWIBFSA-N
XLogP-0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide
CID 144690216
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568
3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 103828888
methyl 3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]propanoate
CID 79684956
(3R)-3-(dimethylsulfamoylamino)pyrrolidine
CID 79685211
N-[2-(pyrrolidin-3-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]ethanesulfonamide
CID 166150810
2-piperidin-2-yl-N-pyrrolidin-3-ylethanesulfonamide
CID 115048876
1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
CID 79685509
N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide
CID 82842865
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 60962768

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide (CID 79684935) is N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H]1CCNC1.
What is the InChIKey of N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is JROLNDVWBIDZNB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-2-11(9,10)8-6-3-4-7-5-6/h6-8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide?
N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 79684935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).