N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide

C13H19NO5S2 — CID 107861485

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C13H19NO5S2/c15-9-12(8-11-4-2-1-3-5-11)14-21(18,19)13-6-7-20(16,17)10-13/h1-5,12-15H,6-10H2/t12-,13?/m1/s1
InChIKeyDVRPCCXMMVESPR-PZORYLMUSA-N
MW333.43 g/mol
LogP-0.30
Rot. Bonds6

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 107861485) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID107861485
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C13H19NO5S2/c15-9-12(8-11-4-2-1-3-5-11)14-21(18,19)13-6-7-20(16,17)10-13/h1-5,12-15H,6-10H2/t12-,13?/m1/s1
InChIKeyDVRPCCXMMVESPR-PZORYLMUSA-N
XLogP-0.30
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide
CID 102675549
N-[(1S)-2-hydroxy-1-phenylethyl]-1,1-dioxothiolane-3-sulfonamide
CID 107863557
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
(2S)-2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61145252
[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
CID 104923639
[1-(1,1-dioxothiolan-3-yl)-3-phenylpropan-2-yl]hydrazine
CID 105283106
N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide
CID 105361785
(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
CID 105258752
N-(2-bromo-1-phenylethyl)-1,1-dioxothiane-4-sulfonamide
CID 114296825
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63261000

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide (CID 107861485) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)C1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is DVRPCCXMMVESPR-PZORYLMUSA-N. The full InChI is InChI=1S/C13H19NO5S2/c15-9-12(8-11-4-2-1-3-5-11)14-21(18,19)13-6-7-20(16,17)10-13/h1-5,12-15H,6-10H2/t12-,13?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 333.43 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 107861485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).