3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide

C8H16N4O2S — CID 62137676

IUPAC3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide
SMILESCCn1ccnc1NCCCS(N)(=O)=O
InChIInChI=1S/C8H16N4O2S/c1-2-12-6-5-11-8(12)10-4-3-7-15(9,13)14/h5-6H,2-4,7H2,1H3,(H,10,11)(H2,9,13,14)
InChIKeySSZSNUHAUFMFIT-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.01
Rot. Bonds6

About 3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide

3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide (PubChem CID 62137676) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide
PubChem CID62137676
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide
SMILESCCn1ccnc1NCCCS(N)(=O)=O
InChIInChI=1S/C8H16N4O2S/c1-2-12-6-5-11-8(12)10-4-3-7-15(9,13)14/h5-6H,2-4,7H2,1H3,(H,10,11)(H2,9,13,14)
InChIKeySSZSNUHAUFMFIT-UHFFFAOYSA-N
XLogP-0.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 55157567
1-ethyl-N-octylimidazol-2-amine
CID 115568972
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
4-[(1-ethylimidazol-2-yl)amino]butan-1-ol
CID 106842674
N-(1-ethylimidazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 62138038
3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 62929851
N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-hexyl-1-propylimidazol-2-amine
CID 106573792
1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine
CID 106244489
N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine
CID 106555556
N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142947
N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine
CID 80507516

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide (CID 62137676) is 3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide is CCn1ccnc1NCCCS(N)(=O)=O.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide?
The InChIKey is SSZSNUHAUFMFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-2-12-6-5-11-8(12)10-4-3-7-15(9,13)14/h5-6H,2-4,7H2,1H3,(H,10,11)(H2,9,13,14).
What are the key properties of 3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide?
3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 62137676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).