N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide

C11H20N2O5S2 — CID 146210589

IUPACN-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(S(=O)(=O)C2CCOC2)C1
InChIInChI=1S/C11H20N2O5S2/c1-2-19(14,15)12-7-10-3-5-13(8-10)20(16,17)11-4-6-18-9-11/h2,10-12H,1,3-9H2/t10-,11?/m1/s1
InChIKeyVAAVKQHNZBOSAU-NFJWQWPMSA-N
MW324.42 g/mol
LogP-0.51
Rot. Bonds6

About N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide

N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146210589) has the molecular formula C11H20N2O5S2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146210589
Molecular FormulaC11H20N2O5S2
Molecular Weight324.42 g/mol
Exact Mass324.08
IUPAC NameN-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(S(=O)(=O)C2CCOC2)C1
InChIInChI=1S/C11H20N2O5S2/c1-2-19(14,15)12-7-10-3-5-13(8-10)20(16,17)11-4-6-18-9-11/h2,10-12H,1,3-9H2/t10-,11?/m1/s1
InChIKeyVAAVKQHNZBOSAU-NFJWQWPMSA-N
XLogP-0.51
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210451
N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210456
N-[[(3R)-1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210868
[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
rac-N-{[(3R,4R)-4-methylpyrrolidin-3-yl]methyl}oxolane-3-sulfonamide
CID 165445051
rac-1-[(3R,4S)-4-methyl-1-(oxolane-3-sulfonyl)pyrrolidin-3-yl]methanamine
CID 165750762

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146210589) is N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NC[C@H]1CCN(S(=O)(=O)C2CCOC2)C1.
What is the InChIKey of N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is VAAVKQHNZBOSAU-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H20N2O5S2/c1-2-19(14,15)12-7-10-3-5-13(8-10)20(16,17)11-4-6-18-9-11/h2,10-12H,1,3-9H2/t10-,11?/m1/s1.
What are the key properties of N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 324.42 g/mol, XLogP of -0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146210589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).