[(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate

C15H19NO6S — CID 10688596

IUPAC[(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate
SMILESCC(=O)O[C@H]1CCC[C@H]1OC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H19NO6S/c1-10-6-8-12(9-7-10)23(19,20)16-15(18)22-14-5-3-4-13(14)21-11(2)17/h6-9,13-14H,3-5H2,1-2H3,(H,16,18)/t13-,14+/m0/s1
InChIKeyDCDAMSKNJIZYIO-UONOGXRCSA-N
MW341.39 g/mol
LogP1.89
Rot. Bonds4

About [(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate

[(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate (PubChem CID 10688596) has the molecular formula C15H19NO6S and a molecular weight of 341.39 g/mol. Its IUPAC name is [(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate.

Molecular Properties

Compound Name[(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate
PubChem CID10688596
Molecular FormulaC15H19NO6S
Molecular Weight341.39 g/mol
Exact Mass341.09
IUPAC Name[(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate
SMILESCC(=O)O[C@H]1CCC[C@H]1OC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H19NO6S/c1-10-6-8-12(9-7-10)23(19,20)16-15(18)22-14-5-3-4-13(14)21-11(2)17/h6-9,13-14H,3-5H2,1-2H3,(H,16,18)/t13-,14+/m0/s1
InChIKeyDCDAMSKNJIZYIO-UONOGXRCSA-N
XLogP1.89
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,4S)-4-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclohex-2-en-1-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 11005717
[2-(4-methylphenyl)sulfonyloxycyclohexyl] acetate
CID 12768494
[(1S,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-4-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 98154208
[(1S,2R,6S,7R,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 98154207
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
methyl 2-[(2R,3R)-1-(methylcarbamoyl)-3-[(4-methylphenyl)sulfonylcarbamoyloxy]pyrrolidin-2-yl]acetate
CID 10549666
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
[(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 7102005
[1-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 22678928
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528
1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl] 4-methylbenzoate
CID 132517688

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate?
The IUPAC name of [(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate (CID 10688596) is [(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate.
What is the SMILES notation for [(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate?
The canonical SMILES for [(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate is CC(=O)O[C@H]1CCC[C@H]1OC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate?
The InChIKey is DCDAMSKNJIZYIO-UONOGXRCSA-N. The full InChI is InChI=1S/C15H19NO6S/c1-10-6-8-12(9-7-10)23(19,20)16-15(18)22-14-5-3-4-13(14)21-11(2)17/h6-9,13-14H,3-5H2,1-2H3,(H,16,18)/t13-,14+/m0/s1.
What are the key properties of [(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate?
[(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate has a molecular weight of 341.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclopentyl] acetate is sourced from PubChem (CID 10688596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).