2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate

C7H13N5O4S — CID 83202968

IUPAC2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate
SMILESCn1cnc(N)c1S(=O)(=O)NCCOC(N)=O
InChIInChI=1S/C7H13N5O4S/c1-12-4-10-5(8)6(12)17(14,15)11-2-3-16-7(9)13/h4,11H,2-3,8H2,1H3,(H2,9,13)
InChIKeyVHJWDEMEYNMIAJ-UHFFFAOYSA-N
MW263.28 g/mol
LogP-1.62
Rot. Bonds5

About 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate

2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate (PubChem CID 83202968) has the molecular formula C7H13N5O4S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate
PubChem CID83202968
Molecular FormulaC7H13N5O4S
Molecular Weight263.28 g/mol
Exact Mass263.07
IUPAC Name2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate
SMILESCn1cnc(N)c1S(=O)(=O)NCCOC(N)=O
InChIInChI=1S/C7H13N5O4S/c1-12-4-10-5(8)6(12)17(14,15)11-2-3-16-7(9)13/h4,11H,2-3,8H2,1H3,(H2,9,13)
InChIKeyVHJWDEMEYNMIAJ-UHFFFAOYSA-N
XLogP-1.62
TPSA142.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate (CID 83202968) is 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate is Cn1cnc(N)c1S(=O)(=O)NCCOC(N)=O.
What is the InChIKey of 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate?
The InChIKey is VHJWDEMEYNMIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O4S/c1-12-4-10-5(8)6(12)17(14,15)11-2-3-16-7(9)13/h4,11H,2-3,8H2,1H3,(H2,9,13).
What are the key properties of 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate?
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate has a molecular weight of 263.28 g/mol, XLogP of -1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83202968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).