ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate

C11H15NO4S — CID 175275781

IUPACethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C11H15NO4S/c1-3-16-11(13)12-17(14,15)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,12,13)
InChIKeyPBLOSHDPIQRXJF-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.57
Rot. Bonds4

About ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate

ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate (PubChem CID 175275781) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
PubChem CID175275781
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Nameethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C11H15NO4S/c1-3-16-11(13)12-17(14,15)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,12,13)
InChIKeyPBLOSHDPIQRXJF-UHFFFAOYSA-N
XLogP1.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(3-methylphenyl)methoxy]carbamate
CID 121006140
ethyl 4-[(3-methylphenyl)methylsulfonyl]-3-oxobutanoate
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N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 92672631
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992182
ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498
N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 27210808
tert-butyl N-[(4-methylphenyl)methylsulfonyl]carbamate
CID 159326280
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
ethyl N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylsulfamoyl]carbamate
CID 114465943

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate?
The IUPAC name of ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate (CID 175275781) is ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate.
What is the SMILES notation for ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate?
The canonical SMILES for ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate is CCOC(=O)NS(=O)(=O)Cc1cccc(C)c1.
What is the InChIKey of ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate?
The InChIKey is PBLOSHDPIQRXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-16-11(13)12-17(14,15)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,12,13).
What are the key properties of ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate?
ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate has a molecular weight of 257.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate is sourced from PubChem (CID 175275781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).