N-(3-imidazol-1-ylpropyl)ethanesulfonamide

C8H15N3O2S — CID 19685069

IUPACN-(3-imidazol-1-ylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C8H15N3O2S/c1-2-14(12,13)10-4-3-6-11-7-5-9-8-11/h5,7-8,10H,2-4,6H2,1H3
InChIKeyPNYJRPODTFFCBK-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.21
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)ethanesulfonamide

N-(3-imidazol-1-ylpropyl)ethanesulfonamide (PubChem CID 19685069) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)ethanesulfonamide
PubChem CID19685069
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-(3-imidazol-1-ylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C8H15N3O2S/c1-2-14(12,13)10-4-3-6-11-7-5-9-8-11/h5,7-8,10H,2-4,6H2,1H3
InChIKeyPNYJRPODTFFCBK-UHFFFAOYSA-N
XLogP0.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide
CID 106054419
N-(6-imidazol-1-ylhexyl)methanesulfonamide
CID 110441232
1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole
CID 56812922
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide
CID 140993558
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 94963622
2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456215
N-(3-imidazol-1-ylpropyl)-4-methylsulfanylbenzenesulfonamide
CID 6459195
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
3-imidazol-1-yl-N-(2-methylsulfanylethyl)propan-1-amine
CID 60685316

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)ethanesulfonamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)ethanesulfonamide (CID 19685069) is N-(3-imidazol-1-ylpropyl)ethanesulfonamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)ethanesulfonamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)ethanesulfonamide is CCS(=O)(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)ethanesulfonamide?
The InChIKey is PNYJRPODTFFCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-2-14(12,13)10-4-3-6-11-7-5-9-8-11/h5,7-8,10H,2-4,6H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)ethanesulfonamide?
N-(3-imidazol-1-ylpropyl)ethanesulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)ethanesulfonamide is sourced from PubChem (CID 19685069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).