N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide

C10H14N4O3S — CID 79885842

IUPACN-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nc2cc(N)ccc2o1
InChIInChI=1S/C10H14N4O3S/c1-18(15,16)13-5-4-12-10-14-8-6-7(11)2-3-9(8)17-10/h2-3,6,13H,4-5,11H2,1H3,(H,12,14)
InChIKeyUUHGGJZQNNVSPK-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.37
Rot. Bonds5

About N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide

N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 79885842) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide
PubChem CID79885842
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC NameN-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nc2cc(N)ccc2o1
InChIInChI=1S/C10H14N4O3S/c1-18(15,16)13-5-4-12-10-14-8-6-7(11)2-3-9(8)17-10/h2-3,6,13H,4-5,11H2,1H3,(H,12,14)
InChIKeyUUHGGJZQNNVSPK-UHFFFAOYSA-N
XLogP0.37
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide (CID 79885842) is N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1nc2cc(N)ccc2o1.
What is the InChIKey of N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is UUHGGJZQNNVSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-18(15,16)13-5-4-12-10-14-8-6-7(11)2-3-9(8)17-10/h2-3,6,13H,4-5,11H2,1H3,(H,12,14).
What are the key properties of N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 270.31 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 79885842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).