benzyl N-[2-(methylsulfamoyl)ethyl]carbamate

C11H16N2O4S — CID 110292911

IUPACbenzyl N-[2-(methylsulfamoyl)ethyl]carbamate
SMILESCNS(=O)(=O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-12-18(15,16)8-7-13-11(14)17-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,13,14)
InChIKeyBNQZPKUXIXVNIW-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.46
Rot. Bonds6

About benzyl N-[2-(methylsulfamoyl)ethyl]carbamate

benzyl N-[2-(methylsulfamoyl)ethyl]carbamate (PubChem CID 110292911) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is benzyl N-[2-(methylsulfamoyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(methylsulfamoyl)ethyl]carbamate
PubChem CID110292911
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namebenzyl N-[2-(methylsulfamoyl)ethyl]carbamate
SMILESCNS(=O)(=O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-12-18(15,16)8-7-13-11(14)17-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,13,14)
InChIKeyBNQZPKUXIXVNIW-UHFFFAOYSA-N
XLogP0.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate
CID 71905538
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
phenyl 2-(phenylmethoxycarbonylamino)ethanesulfonate
CID 151380826
2-[4-(phenylmethoxycarbonylamino)butanoylamino]ethanesulfonic acid
CID 45490396
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-[2-(butanoylamino)ethyl]carbamate
CID 130774623
tert-butyl 3-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]propanoate
CID 138606235
benzyl N-(3-deuteriopropyl)carbamate
CID 173247351
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(methylsulfamoyl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(methylsulfamoyl)ethyl]carbamate (CID 110292911) is benzyl N-[2-(methylsulfamoyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(methylsulfamoyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(methylsulfamoyl)ethyl]carbamate is CNS(=O)(=O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(methylsulfamoyl)ethyl]carbamate?
The InChIKey is BNQZPKUXIXVNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-12-18(15,16)8-7-13-11(14)17-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,13,14).
What are the key properties of benzyl N-[2-(methylsulfamoyl)ethyl]carbamate?
benzyl N-[2-(methylsulfamoyl)ethyl]carbamate has a molecular weight of 272.33 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(methylsulfamoyl)ethyl]carbamate is sourced from PubChem (CID 110292911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).