N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide

C12H19N3O3S — CID 136547327

IUPACN-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCc1nc(S(=O)(=O)NC(=O)C2CC2C(C)C)cn1C
InChIInChI=1S/C12H19N3O3S/c1-7(2)9-5-10(9)12(16)14-19(17,18)11-6-15(4)8(3)13-11/h6-7,9-10H,5H2,1-4H3,(H,14,16)
InChIKeyYDGRHSYPYLINHD-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.83
Rot. Bonds4

About N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide

N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 136547327) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide
PubChem CID136547327
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCc1nc(S(=O)(=O)NC(=O)C2CC2C(C)C)cn1C
InChIInChI=1S/C12H19N3O3S/c1-7(2)9-5-10(9)12(16)14-19(17,18)11-6-15(4)8(3)13-11/h6-7,9-10H,5H2,1-4H3,(H,14,16)
InChIKeyYDGRHSYPYLINHD-UHFFFAOYSA-N
XLogP0.83
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 79011211
1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide
CID 64994260
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 83031032
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 66167715
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
CID 62675545
(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 78984885
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64816640
1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide
CID 62063852
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
CID 55030383
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 64572227
N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 114294711

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide (CID 136547327) is N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide is Cc1nc(S(=O)(=O)NC(=O)C2CC2C(C)C)cn1C.
What is the InChIKey of N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is YDGRHSYPYLINHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-7(2)9-5-10(9)12(16)14-19(17,18)11-6-15(4)8(3)13-11/h6-7,9-10H,5H2,1-4H3,(H,14,16).
What are the key properties of N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide?
N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylimidazol-4-yl)sulfonyl-2-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 136547327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).