N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine

C7H13N3O2S — CID 62761589

IUPACN-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CCNCc1cnc[nH]1
InChIInChI=1S/C7H13N3O2S/c1-13(11,12)3-2-8-4-7-5-9-6-10-7/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyPPGHHKVQIAUXQK-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.46
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine

N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine (PubChem CID 62761589) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine
PubChem CID62761589
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CCNCc1cnc[nH]1
InChIInChI=1S/C7H13N3O2S/c1-13(11,12)3-2-8-4-7-5-9-6-10-7/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyPPGHHKVQIAUXQK-UHFFFAOYSA-N
XLogP-0.46
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine 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

2-(1H-imidazol-5-ylmethylamino)-N-methylethanesulfonamide
CID 102674753
methyl 4-(1H-imidazol-5-ylmethylamino)butanoate
CID 62763202
N-(1H-imidazol-5-ylmethyl)-3-(methylamino)propane-1-sulfonamide
CID 106069679
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine
CID 62762848
N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide
CID 115615526
N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine
CID 62762970
5-[(sulfamoylamino)methyl]-1H-imidazole
CID 57034342
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
1-(1H-imidazol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724271
ethyl 3-(1H-imidazol-5-ylmethylamino)propanoate
CID 62761064
N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride
CID 115607731

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine (CID 62761589) is N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine is CS(=O)(=O)CCNCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine?
The InChIKey is PPGHHKVQIAUXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-13(11,12)3-2-8-4-7-5-9-6-10-7/h5-6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine?
N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine has a molecular weight of 203.27 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine is sourced from PubChem (CID 62761589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).