N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine

C8H16N4O2S — CID 114810309

IUPACN-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine
SMILESCCCNS(=O)(=O)NC(C)c1ncc[nH]1
InChIInChI=1S/C8H16N4O2S/c1-3-4-11-15(13,14)12-7(2)8-9-5-6-10-8/h5-7,11-12H,3-4H2,1-2H3,(H,9,10)
InChIKeyKVUNKNNEZNIROX-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.30
Rot. Bonds6

About N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine

N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine (PubChem CID 114810309) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine
PubChem CID114810309
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine
SMILESCCCNS(=O)(=O)NC(C)c1ncc[nH]1
InChIInChI=1S/C8H16N4O2S/c1-3-4-11-15(13,14)12-7(2)8-9-5-6-10-8/h5-7,11-12H,3-4H2,1-2H3,(H,9,10)
InChIKeyKVUNKNNEZNIROX-UHFFFAOYSA-N
XLogP0.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106085013
2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide
CID 114385222
3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 114810323
N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084997
butyl N-[(1S)-1-(1H-imidazol-2-yl)ethyl]carbamate
CID 139947377
4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085113
2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde
CID 173197024
1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 53405687
5-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106085088
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide
CID 106085015
4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106084999
N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085091

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine?
The IUPAC name of N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine (CID 114810309) is N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine is CCCNS(=O)(=O)NC(C)c1ncc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine?
The InChIKey is KVUNKNNEZNIROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-3-4-11-15(13,14)12-7(2)8-9-5-6-10-8/h5-7,11-12H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine?
N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine has a molecular weight of 232.31 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine is sourced from PubChem (CID 114810309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).