2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide

C8H16N4O2S — CID 61482816

IUPAC2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)CCN
InChIInChI=1S/C8H16N4O2S/c1-8(6-12-4-3-10-7-12)11-15(13,14)5-2-9/h3-4,7-8,11H,2,5-6,9H2,1H3
InChIKeyZZUTZMBGAKCIRL-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.85
Rot. Bonds6

About 2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide

2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide (PubChem CID 61482816) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
PubChem CID61482816
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)CCN
InChIInChI=1S/C8H16N4O2S/c1-8(6-12-4-3-10-7-12)11-15(13,14)5-2-9/h3-4,7-8,11H,2,5-6,9H2,1H3
InChIKeyZZUTZMBGAKCIRL-UHFFFAOYSA-N
XLogP-0.85
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 ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 79589560
1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106009921
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479595
4-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81440827
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
5-(aminomethyl)-1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009824
3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322492
5-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479509
2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479287
4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479552

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide (CID 61482816) is 2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide is CC(Cn1ccnc1)NS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide?
The InChIKey is ZZUTZMBGAKCIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-8(6-12-4-3-10-7-12)11-15(13,14)5-2-9/h3-4,7-8,11H,2,5-6,9H2,1H3.
What are the key properties of 2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide?
2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide is sourced from PubChem (CID 61482816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).