3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine

C9H18N4O2S — CID 114810323

IUPAC3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
SMILESCC(C)NS(=O)(=O)NCCCc1ncc[nH]1
InChIInChI=1S/C9H18N4O2S/c1-8(2)13-16(14,15)12-5-3-4-9-10-6-7-11-9/h6-8,12-13H,3-5H2,1-2H3,(H,10,11)
InChIKeyAUONSGZRCOCWGU-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.17
Rot. Bonds7

About 3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine

3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine (PubChem CID 114810323) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
PubChem CID114810323
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
SMILESCC(C)NS(=O)(=O)NCCCc1ncc[nH]1
InChIInChI=1S/C9H18N4O2S/c1-8(2)13-16(14,15)12-5-3-4-9-10-6-7-11-9/h6-8,12-13H,3-5H2,1-2H3,(H,10,11)
InChIKeyAUONSGZRCOCWGU-UHFFFAOYSA-N
XLogP0.17
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
N-(propan-2-ylsulfamoyl)-1H-imidazol-2-amine
CID 114810099
4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide
CID 106081694
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CID 114810309
N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide
CID 122564866
5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide
CID 106081668
3-bromo-4-chloro-N-[3-(1H-imidazol-2-yl)propyl]benzenesulfonamide
CID 106606470
3-hydrazinyl-N-[3-(1H-imidazol-2-yl)propyl]pyridine-2-sulfonamide
CID 103302080
2-butyl-1H-imidazole;cyclohexane
CID 173413359
8-(1H-imidazol-2-yl)octane-1-sulfonic acid
CID 18415205
3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
CID 106081643
N-[3-(1H-imidazol-2-ylmethylamino)propyl]ethanesulfonamide
CID 119111794

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine?
The IUPAC name of 3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine (CID 114810323) is 3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine is CC(C)NS(=O)(=O)NCCCc1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine?
The InChIKey is AUONSGZRCOCWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-8(2)13-16(14,15)12-5-3-4-9-10-6-7-11-9/h6-8,12-13H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine?
3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine has a molecular weight of 246.34 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine is sourced from PubChem (CID 114810323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).