1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide

C10H19N3O4S — CID 79373739

IUPAC1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)CC(O)COC)c1
InChIInChI=1S/C10H19N3O4S/c1-4-13-6-10(11-8-13)18(15,16)12(2)5-9(14)7-17-3/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyDMRYKLQMBFYZHZ-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.47
Rot. Bonds7

About 1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide

1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide (PubChem CID 79373739) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide
PubChem CID79373739
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)CC(O)COC)c1
InChIInChI=1S/C10H19N3O4S/c1-4-13-6-10(11-8-13)18(15,16)12(2)5-9(14)7-17-3/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyDMRYKLQMBFYZHZ-UHFFFAOYSA-N
XLogP-0.47
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide
CID 113343424
2-[(1-ethylimidazol-4-yl)sulfonyl-methylamino]acetic acid
CID 79373799
methyl 4-[(1-ethylimidazol-4-yl)sulfonyl-methylamino]butanoate
CID 79372792
N-(2-chloro-3-methoxypropyl)-N,1-dimethylimidazole-4-sulfonamide
CID 55185755
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide
CID 54999137
1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide
CID 79373569
N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide
CID 79372708
5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
CID 54999328
N-(3,5-dimethoxyphenyl)-1-ethyl-N-methylimidazole-4-sulfonamide
CID 167969086
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 115875810
N-(2-bromo-3-methoxypropyl)-1-ethylimidazole-4-sulfonamide
CID 114296266
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide (CID 79373739) is 1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N(C)CC(O)COC)c1.
What is the InChIKey of 1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide?
The InChIKey is DMRYKLQMBFYZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-4-13-6-10(11-8-13)18(15,16)12(2)5-9(14)7-17-3/h6,8-9,14H,4-5,7H2,1-3H3.
What are the key properties of 1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide?
1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of -0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide is sourced from PubChem (CID 79373739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).