N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide

C9H17N3O3S — CID 62065157

IUPACN-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCO)nc1C
InChIInChI=1S/C9H17N3O3S/c1-3-5-12-7-9(11-8(12)2)16(14,15)10-4-6-13/h7,10,13H,3-6H2,1-2H3
InChIKeyNNWGSOPJESSQPQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.13
Rot. Bonds6

About N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 62065157) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID62065157
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCO)nc1C
InChIInChI=1S/C9H17N3O3S/c1-3-5-12-7-9(11-8(12)2)16(14,15)10-4-6-13/h7,10,13H,3-6H2,1-2H3
InChIKeyNNWGSOPJESSQPQ-UHFFFAOYSA-N
XLogP-0.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide
CID 114466971
N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 106143878
N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide
CID 106210109
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 65231693
N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365923
2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide
CID 55030726
N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 107155350
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
CID 55030199

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 62065157) is N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCCO)nc1C.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is NNWGSOPJESSQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-3-5-12-7-9(11-8(12)2)16(14,15)10-4-6-13/h7,10,13H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 62065157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).