N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide

C14H24N4O3S — CID 127958386

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C14H24N4O3S/c1-2-17-10-7-15-14(17)13-12(6-5-11-21-13)16-22(19,20)18-8-3-4-9-18/h7,10,12-13,16H,2-6,8-9,11H2,1H3/t12-,13-/m0/s1
InChIKeyAXVZFWTUNDFFKW-STQMWFEESA-N
MW328.44 g/mol
LogP1.05
Rot. Bonds5

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide (PubChem CID 127958386) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide
PubChem CID127958386
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C14H24N4O3S/c1-2-17-10-7-15-14(17)13-12(6-5-11-21-13)16-22(19,20)18-8-3-4-9-18/h7,10,12-13,16H,2-6,8-9,11H2,1H3/t12-,13-/m0/s1
InChIKeyAXVZFWTUNDFFKW-STQMWFEESA-N
XLogP1.05
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide (CID 127958386) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide is CCn1ccnc1[C@H]1OCCC[C@@H]1NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide?
The InChIKey is AXVZFWTUNDFFKW-STQMWFEESA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-2-17-10-7-15-14(17)13-12(6-5-11-21-13)16-22(19,20)18-8-3-4-9-18/h7,10,12-13,16H,2-6,8-9,11H2,1H3/t12-,13-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide has a molecular weight of 328.44 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 127958386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).