1-(4-methylphenyl)sulfonylethyl carbamate

C10H13NO4S — CID 66715311

IUPAC1-(4-methylphenyl)sulfonylethyl carbamate
SMILESCc1ccc(S(=O)(=O)C(C)OC(N)=O)cc1
InChIInChI=1S/C10H13NO4S/c1-7-3-5-9(6-4-7)16(13,14)8(2)15-10(11)12/h3-6,8H,1-2H3,(H2,11,12)
InChIKeyIGISNBGDPUCVKK-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.21
Rot. Bonds3

About 1-(4-methylphenyl)sulfonylethyl carbamate

1-(4-methylphenyl)sulfonylethyl carbamate (PubChem CID 66715311) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylethyl carbamate.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylethyl carbamate
PubChem CID66715311
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name1-(4-methylphenyl)sulfonylethyl carbamate
SMILESCc1ccc(S(=O)(=O)C(C)OC(N)=O)cc1
InChIInChI=1S/C10H13NO4S/c1-7-3-5-9(6-4-7)16(13,14)8(2)15-10(11)12/h3-6,8H,1-2H3,(H2,11,12)
InChIKeyIGISNBGDPUCVKK-UHFFFAOYSA-N
XLogP1.21
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylethyl carbamate?
The IUPAC name of 1-(4-methylphenyl)sulfonylethyl carbamate (CID 66715311) is 1-(4-methylphenyl)sulfonylethyl carbamate.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylethyl carbamate?
The canonical SMILES for 1-(4-methylphenyl)sulfonylethyl carbamate is Cc1ccc(S(=O)(=O)C(C)OC(N)=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylethyl carbamate?
The InChIKey is IGISNBGDPUCVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-7-3-5-9(6-4-7)16(13,14)8(2)15-10(11)12/h3-6,8H,1-2H3,(H2,11,12).
What are the key properties of 1-(4-methylphenyl)sulfonylethyl carbamate?
1-(4-methylphenyl)sulfonylethyl carbamate has a molecular weight of 243.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylethyl carbamate is sourced from PubChem (CID 66715311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).