N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide

C7H14N4O3S — CID 63247487

IUPACN-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide
SMILES[N-]=[N+]=NCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H14N4O3S/c8-11-9-3-4-10-15(12,13)6-7-2-1-5-14-7/h7,10H,1-6H2
InChIKeyIKMZXSPZRVSIBY-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.40
Rot. Bonds6

About N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide

N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63247487) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63247487
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC NameN-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide
SMILES[N-]=[N+]=NCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H14N4O3S/c8-11-9-3-4-10-15(12,13)6-7-2-1-5-14-7/h7,10H,1-6H2
InChIKeyIKMZXSPZRVSIBY-UHFFFAOYSA-N
XLogP0.40
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide
CID 119973445
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63247487) is N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide is [N-]=[N+]=NCCNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is IKMZXSPZRVSIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3S/c8-11-9-3-4-10-15(12,13)6-7-2-1-5-14-7/h7,10H,1-6H2.
What are the key properties of N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 234.28 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63247487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).