(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide

C11H15NO4S2 — CID 7068858

IUPAC(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CC[C@@H](S(=O)(=O)NCc2ccccc2)C1
InChIInChI=1S/C11H15NO4S2/c13-17(14)7-6-11(9-17)18(15,16)12-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-/m1/s1
InChIKeyGMCFFZYHAXAPGE-LLVKDONJSA-N
MW289.38 g/mol
LogP0.29
Rot. Bonds4

About (3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide

(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide (PubChem CID 7068858) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
PubChem CID7068858
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CC[C@@H](S(=O)(=O)NCc2ccccc2)C1
InChIInChI=1S/C11H15NO4S2/c13-17(14)7-6-11(9-17)18(15,16)12-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-/m1/s1
InChIKeyGMCFFZYHAXAPGE-LLVKDONJSA-N
XLogP0.29
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide
CID 107234052
N-[(4-aminophenyl)methyl]-1,1-dioxothiane-4-sulfonamide
CID 62085292
N-[(3-bromophenyl)methyl]-1,1-dioxothiane-4-sulfonamide
CID 62086018
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide
CID 107861485
1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide
CID 61284724
N-benzylpyrrolidine-3-sulfonamide
CID 65420907
N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide
CID 62950640
N-[(1S)-2-hydroxy-1-phenylethyl]-1,1-dioxothiolane-3-sulfonamide
CID 107863557
1,1-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)thiolane-3-sulfonamide
CID 54883587
N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 43827652
1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide
CID 62540052
(3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 40548256

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of (3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide (CID 7068858) is (3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for (3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for (3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CC[C@@H](S(=O)(=O)NCc2ccccc2)C1.
What is the InChIKey of (3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is GMCFFZYHAXAPGE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO4S2/c13-17(14)7-6-11(9-17)18(15,16)12-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-/m1/s1.
What are the key properties of (3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide?
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 289.38 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 7068858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).