N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide

C8H15N3O3S — CID 115755526

IUPACN-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H15N3O3S/c1-2-11(4-3-5-12)15(13,14)8-6-9-7-10-8/h6-7,12H,2-5H2,1H3,(H,9,10)
InChIKeyHYQKFTDPOKFDNZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.20
Rot. Bonds6

About N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide

N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide (PubChem CID 115755526) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide
PubChem CID115755526
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H15N3O3S/c1-2-11(4-3-5-12)15(13,14)8-6-9-7-10-8/h6-7,12H,2-5H2,1H3,(H,9,10)
InChIKeyHYQKFTDPOKFDNZ-UHFFFAOYSA-N
XLogP-0.20
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylamino)propyl]-N-ethyl-1H-imidazole-5-sulfonamide
CID 102995748
2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid
CID 103862547
N-ethyl-N-(piperidin-4-ylmethyl)-1H-imidazole-5-sulfonamide
CID 79716580
N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 79668448
N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106631158
N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide
CID 104556364
N-methyl-N-[2-(methylamino)ethyl]-1H-imidazole-5-sulfonamide;hydrochloride
CID 120718169
N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 106630692
1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine
CID 161081196
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755430
N-cyclobutyl-N-methyl-1H-imidazole-5-sulfonamide
CID 115650745

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide (CID 115755526) is N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide is CCN(CCCO)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide?
The InChIKey is HYQKFTDPOKFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-2-11(4-3-5-12)15(13,14)8-6-9-7-10-8/h6-7,12H,2-5H2,1H3,(H,9,10).
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide?
N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 115755526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).