2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate

C8H14N4O4S — CID 83204432

IUPAC2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate
SMILESCCc1ncc(S(=O)(=O)NCCOC(N)=O)[nH]1
InChIInChI=1S/C8H14N4O4S/c1-2-6-10-5-7(12-6)17(14,15)11-3-4-16-8(9)13/h5,11H,2-4H2,1H3,(H2,9,13)(H,10,12)
InChIKeyCNTYGGAWUZVHDZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.65
Rot. Bonds6

About 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate

2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate (PubChem CID 83204432) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate
PubChem CID83204432
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC Name2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate
SMILESCCc1ncc(S(=O)(=O)NCCOC(N)=O)[nH]1
InChIInChI=1S/C8H14N4O4S/c1-2-6-10-5-7(12-6)17(14,15)11-3-4-16-8(9)13/h5,11H,2-4H2,1H3,(H2,9,13)(H,10,12)
InChIKeyCNTYGGAWUZVHDZ-UHFFFAOYSA-N
XLogP-0.65
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate (CID 83204432) is 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate is CCc1ncc(S(=O)(=O)NCCOC(N)=O)[nH]1.
What is the InChIKey of 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate?
The InChIKey is CNTYGGAWUZVHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c1-2-6-10-5-7(12-6)17(14,15)11-3-4-16-8(9)13/h5,11H,2-4H2,1H3,(H2,9,13)(H,10,12).
What are the key properties of 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate?
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate has a molecular weight of 262.29 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83204432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).