2-(ethylsulfonylamino)ethyl-methylcarbamic acid

C6H14N2O4S — CID 166748631

IUPAC2-(ethylsulfonylamino)ethyl-methylcarbamic acid
SMILESCCS(=O)(=O)NCCN(C)C(=O)O
InChIInChI=1S/C6H14N2O4S/c1-3-13(11,12)7-4-5-8(2)6(9)10/h7H,3-5H2,1-2H3,(H,9,10)
InChIKeyWKCYBMPLILYNLW-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.46
Rot. Bonds5

About 2-(ethylsulfonylamino)ethyl-methylcarbamic acid

2-(ethylsulfonylamino)ethyl-methylcarbamic acid (PubChem CID 166748631) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-(ethylsulfonylamino)ethyl-methylcarbamic acid
PubChem CID166748631
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name2-(ethylsulfonylamino)ethyl-methylcarbamic acid
SMILESCCS(=O)(=O)NCCN(C)C(=O)O
InChIInChI=1S/C6H14N2O4S/c1-3-13(11,12)7-4-5-8(2)6(9)10/h7H,3-5H2,1-2H3,(H,9,10)
InChIKeyWKCYBMPLILYNLW-UHFFFAOYSA-N
XLogP-0.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)ethyl-methylcarbamic acid?
The IUPAC name of 2-(ethylsulfonylamino)ethyl-methylcarbamic acid (CID 166748631) is 2-(ethylsulfonylamino)ethyl-methylcarbamic acid.
What is the SMILES notation for 2-(ethylsulfonylamino)ethyl-methylcarbamic acid?
The canonical SMILES for 2-(ethylsulfonylamino)ethyl-methylcarbamic acid is CCS(=O)(=O)NCCN(C)C(=O)O.
What is the InChIKey of 2-(ethylsulfonylamino)ethyl-methylcarbamic acid?
The InChIKey is WKCYBMPLILYNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-3-13(11,12)7-4-5-8(2)6(9)10/h7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(ethylsulfonylamino)ethyl-methylcarbamic acid?
2-(ethylsulfonylamino)ethyl-methylcarbamic acid has a molecular weight of 210.25 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)ethyl-methylcarbamic acid is sourced from PubChem (CID 166748631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).