2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide

C10H19N3O3S2 — CID 106306704

IUPAC2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCCSCCCO)[nH]1
InChIInChI=1S/C10H19N3O3S2/c1-2-9-11-8-10(13-9)18(15,16)12-4-7-17-6-3-5-14/h8,12,14H,2-7H2,1H3,(H,11,13)
InChIKeyFCXVQBOESFOVTN-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.37
Rot. Bonds9

About 2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide

2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide (PubChem CID 106306704) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide
PubChem CID106306704
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC Name2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCCSCCCO)[nH]1
InChIInChI=1S/C10H19N3O3S2/c1-2-9-11-8-10(13-9)18(15,16)12-4-7-17-6-3-5-14/h8,12,14H,2-7H2,1H3,(H,11,13)
InChIKeyFCXVQBOESFOVTN-UHFFFAOYSA-N
XLogP0.37
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate
CID 83204432
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 113430471
2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
CID 107232013
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 77021142
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide
CID 114265073
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106245580
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide (CID 106306704) is 2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCCSCCCO)[nH]1.
What is the InChIKey of 2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is FCXVQBOESFOVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-2-9-11-8-10(13-9)18(15,16)12-4-7-17-6-3-5-14/h8,12,14H,2-7H2,1H3,(H,11,13).
What are the key properties of 2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 293.41 g/mol, XLogP of 0.37, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106306704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).