N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide

C11H22N2O3S — CID 104972699

IUPACN-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide
SMILESO=S(=O)(NCC[C@@H]1CCCN1)C1CCOCC1
InChIInChI=1S/C11H22N2O3S/c14-17(15,11-4-8-16-9-5-11)13-7-3-10-2-1-6-12-10/h10-13H,1-9H2/t10-/m0/s1
InChIKeySRERBURKZKLQJC-JTQLQIEISA-N
MW262.37 g/mol
LogP0.23
Rot. Bonds5

About N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide (PubChem CID 104972699) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide
PubChem CID104972699
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide
SMILESO=S(=O)(NCC[C@@H]1CCCN1)C1CCOCC1
InChIInChI=1S/C11H22N2O3S/c14-17(15,11-4-8-16-9-5-11)13-7-3-10-2-1-6-12-10/h10-13H,1-9H2/t10-/m0/s1
InChIKeySRERBURKZKLQJC-JTQLQIEISA-N
XLogP0.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiane-4-sulfonamide
CID 104972737
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]morpholine-4-sulfonamide;hydrochloride
CID 120723511
(2S)-2-[2-(sulfamoylamino)ethyl]pyrrolidine
CID 104985745
2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210453
N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 115752325
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972512
N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide
CID 114794249
2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid
CID 114794124
2-[2-(diethylsulfamoylamino)ethyl]pyrrolidine
CID 114794250
2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propan-2-amine
CID 104978184
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973648
2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120723401

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide?
The IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide (CID 104972699) is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide?
The canonical SMILES for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide is O=S(=O)(NCC[C@@H]1CCCN1)C1CCOCC1.
What is the InChIKey of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide?
The InChIKey is SRERBURKZKLQJC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O3S/c14-17(15,11-4-8-16-9-5-11)13-7-3-10-2-1-6-12-10/h10-13H,1-9H2/t10-/m0/s1.
What are the key properties of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide?
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide is sourced from PubChem (CID 104972699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).