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

C11H21N3O3S — CID 82714897

IUPAC2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NOCC(C)C)nc1C
InChIInChI=1S/C11H21N3O3S/c1-5-6-14-7-11(12-10(14)4)18(15,16)13-17-8-9(2)3/h7,9,13H,5-6,8H2,1-4H3
InChIKeyNFUWYFVIGYEISJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.47
Rot. Bonds7

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

2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide (PubChem CID 82714897) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide
PubChem CID82714897
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NOCC(C)C)nc1C
InChIInChI=1S/C11H21N3O3S/c1-5-6-14-7-11(12-10(14)4)18(15,16)13-17-8-9(2)3/h7,9,13H,5-6,8H2,1-4H3
InChIKeyNFUWYFVIGYEISJ-UHFFFAOYSA-N
XLogP1.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 114295175
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
CID 55030199
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365923
3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanethioamide
CID 55033194
N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63765092
N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 107155350
N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 104821178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide?
The IUPAC name of 2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide (CID 82714897) is 2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NOCC(C)C)nc1C.
What is the InChIKey of 2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide?
The InChIKey is NFUWYFVIGYEISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-5-6-14-7-11(12-10(14)4)18(15,16)13-17-8-9(2)3/h7,9,13H,5-6,8H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide?
2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 82714897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).