N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide

C10H20N4O2S — CID 122564866

IUPACN-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)NCCc1ncc[nH]1
InChIInChI=1S/C10H20N4O2S/c1-3-17(15,16)14-8-9(2)11-5-4-10-12-6-7-13-10/h6-7,9,11,14H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyHGZOOCSUEFUVKU-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.13
Rot. Bonds8

About N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide

N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide (PubChem CID 122564866) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide
PubChem CID122564866
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)NCCc1ncc[nH]1
InChIInChI=1S/C10H20N4O2S/c1-3-17(15,16)14-8-9(2)11-5-4-10-12-6-7-13-10/h6-7,9,11,14H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyHGZOOCSUEFUVKU-UHFFFAOYSA-N
XLogP-0.13
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide
CID 125441934
N-[3-(1H-imidazol-2-ylmethylamino)propyl]ethanesulfonamide
CID 119111794
(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine
CID 125437759
(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
CID 167885469
3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 114810323
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine
CID 131916831
2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole
CID 106085278
N-[2-(1H-imidazol-2-yl)ethyl]formamide
CID 57094248
N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine
CID 67833845
3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106085279
N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106085203

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide?
The IUPAC name of N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide (CID 122564866) is N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide?
The canonical SMILES for N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide is CCS(=O)(=O)NCC(C)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide?
The InChIKey is HGZOOCSUEFUVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-3-17(15,16)14-8-9(2)11-5-4-10-12-6-7-13-10/h6-7,9,11,14H,3-5,8H2,1-2H3,(H,12,13).
What are the key properties of N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide?
N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide has a molecular weight of 260.36 g/mol, XLogP of -0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide is sourced from PubChem (CID 122564866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).