1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide

C12H21N3O3S — CID 91905714

IUPAC1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H21N3O3S/c1-3-5-15(7-11-4-6-18-9-11)19(16,17)12-8-14(2)10-13-12/h8,10-11H,3-7,9H2,1-2H3
InChIKeyFOLQAMSMBJEPJT-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.86
Rot. Bonds6

About 1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide

1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide (PubChem CID 91905714) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide
PubChem CID91905714
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H21N3O3S/c1-3-5-15(7-11-4-6-18-9-11)19(16,17)12-8-14(2)10-13-12/h8,10-11H,3-7,9H2,1-2H3
InChIKeyFOLQAMSMBJEPJT-UHFFFAOYSA-N
XLogP0.86
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidinecarboxylate
CID 2813444
4-(2-methoxyethoxy)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 91907781
2-(1-Methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane
CID 97472658
1H-Imidazole-4-sulfonamide, 1-(2-methylpropyl)-
CID 75356295
N,1-Dimethyl-N-[(4-methyltetrahydro-2H-pyran-4-YL)methyl]-1H-imidazole-4-sulfonamide
CID 71686948
N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide
CID 71686954
4-(2-ethoxyethoxy)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 91907796
N-cyclopropylmethyl-N-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-3-azetanyl}-N-tetrahydro-2H-pyran-4-ylamine
CID 91909806
1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine
CID 91920583
8-(3-Ethylimidazol-4-yl)sulfonyl-5-oxa-8-azaspiro[2.6]nonane
CID 127806559
N-[[(3R)-oxolan-3-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
CID 172471640
1-Methyl-4-pyrrolidin-1-ylsulfonylimidazole
CID 20958597

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide (CID 91905714) is 1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of 1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide?
The InChIKey is FOLQAMSMBJEPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-5-15(7-11-4-6-18-9-11)19(16,17)12-8-14(2)10-13-12/h8,10-11H,3-7,9H2,1-2H3.
What are the key properties of 1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide?
1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxolan-3-ylmethyl)-N-propylimidazole-4-sulfonamide is sourced from PubChem (CID 91905714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).