N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide

C10H16N4O3S — CID 66194994

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2C(N)C3CCOC32)c1
InChIInChI=1S/C10H16N4O3S/c1-14-4-7(12-5-14)18(15,16)13-9-8(11)6-2-3-17-10(6)9/h4-6,8-10,13H,2-3,11H2,1H3
InChIKeyPIBOLVUUCAAIRJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-1.19
Rot. Bonds3

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide (PubChem CID 66194994) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide
PubChem CID66194994
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2C(N)C3CCOC32)c1
InChIInChI=1S/C10H16N4O3S/c1-14-4-7(12-5-14)18(15,16)13-9-8(11)6-2-3-17-10(6)9/h4-6,8-10,13H,2-3,11H2,1H3
InChIKeyPIBOLVUUCAAIRJ-UHFFFAOYSA-N
XLogP-1.19
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide (CID 66194994) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2C(N)C3CCOC32)c1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide?
The InChIKey is PIBOLVUUCAAIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-14-4-7(12-5-14)18(15,16)13-9-8(11)6-2-3-17-10(6)9/h4-6,8-10,13H,2-3,11H2,1H3.
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 66194994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).