N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide

C12H22N2O5S2 — CID 146210456

IUPACN-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1CCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C12H22N2O5S2/c1-2-20(15,16)13-9-11-3-6-14(10-11)21(17,18)12-4-7-19-8-5-12/h2,11-13H,1,3-10H2
InChIKeyKMZOTVBSSMXJSB-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.12
Rot. Bonds6

About N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide

N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146210456) has the molecular formula C12H22N2O5S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146210456
Molecular FormulaC12H22N2O5S2
Molecular Weight338.45 g/mol
Exact Mass338.10
IUPAC NameN-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1CCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C12H22N2O5S2/c1-2-20(15,16)13-9-11-3-6-14(10-11)21(17,18)12-4-7-19-8-5-12/h2,11-13H,1,3-10H2
InChIKeyKMZOTVBSSMXJSB-UHFFFAOYSA-N
XLogP-0.12
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146210456) is N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NCC1CCN(S(=O)(=O)C2CCOCC2)C1.
What is the InChIKey of N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is KMZOTVBSSMXJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S2/c1-2-20(15,16)13-9-11-3-6-14(10-11)21(17,18)12-4-7-19-8-5-12/h2,11-13H,1,3-10H2.
What are the key properties of N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 338.45 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146210456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).