N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide

C11H19F3N2O3S — CID 127332185

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide
SMILESO=S(=O)(NCC1CCN(CC(F)(F)F)C1)C1CCOC1
InChIInChI=1S/C11H19F3N2O3S/c12-11(13,14)8-16-3-1-9(6-16)5-15-20(17,18)10-2-4-19-7-10/h9-10,15H,1-8H2
InChIKeyPKAJWNPASNEQQI-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.58
Rot. Bonds5

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide (PubChem CID 127332185) has the molecular formula C11H19F3N2O3S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide
PubChem CID127332185
Molecular FormulaC11H19F3N2O3S
Molecular Weight316.35 g/mol
Exact Mass316.11
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide
SMILESO=S(=O)(NCC1CCN(CC(F)(F)F)C1)C1CCOC1
InChIInChI=1S/C11H19F3N2O3S/c12-11(13,14)8-16-3-1-9(6-16)5-15-20(17,18)10-2-4-19-7-10/h9-10,15H,1-8H2
InChIKeyPKAJWNPASNEQQI-UHFFFAOYSA-N
XLogP0.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxolane-3-sulfonamide
CID 71871888
(3S)-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide
CID 129490512
[1-(2-Ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 63246940
[1-(Oxolan-2-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 63247574
N-(oxolan-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 65418756
N-(1-ethyl-4-methylpyrrolidin-3-yl)oxolane-3-sulfonamide
CID 71871891
N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-1-(oxolan-3-yl)methanesulfonamide
CID 72121754
N-(1,4-dimethylpyrrolidin-3-yl)-1-(oxolan-3-yl)methanesulfonamide
CID 72121816
N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide
CID 96103806
N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide
CID 96103931
(3R)-N-[(3S,4S)-1-ethyl-4-methylpyrrolidin-3-yl]oxolane-3-sulfonamide
CID 96513789
(3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide
CID 97024463

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide (CID 127332185) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide is O=S(=O)(NCC1CCN(CC(F)(F)F)C1)C1CCOC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide?
The InChIKey is PKAJWNPASNEQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3S/c12-11(13,14)8-16-3-1-9(6-16)5-15-20(17,18)10-2-4-19-7-10/h9-10,15H,1-8H2.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide has a molecular weight of 316.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide is sourced from PubChem (CID 127332185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).