N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide

C11H20N4O2S — CID 103908329

IUPACN-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(C)N(C)C2CC2)[nH]1
InChIInChI=1S/C11H20N4O2S/c1-8(15(3)10-4-5-10)6-13-18(16,17)11-7-12-9(2)14-11/h7-8,10,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyKCVQGOPGUMGIFA-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.48
Rot. Bonds6

About N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide

N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 103908329) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID103908329
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(C)N(C)C2CC2)[nH]1
InChIInChI=1S/C11H20N4O2S/c1-8(15(3)10-4-5-10)6-13-18(16,17)11-7-12-9(2)14-11/h7-8,10,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyKCVQGOPGUMGIFA-UHFFFAOYSA-N
XLogP0.48
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-imidazole-4-sulfonamide
CID 22747796
1-(1H-imidazol-4-ylsulfonyl)azepane
CID 3235988
1-(1H-imidazole-4-sulfonyl)piperidine
CID 6619508
2-methyl-1H-imidazole-5-sulfonyl chloride
CID 10583549
N,N-dimethyl-1H-imidazole-4-sulfonamide
CID 54593459
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
N-methyl-1H-imidazole-4-sulfonamide
CID 54164638
N-cyclopropyl-1H-imidazole-4-sulfonamide
CID 54593460
N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 84598067
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 86784600
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 86801792
N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 121523857

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 103908329) is N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC(C)N(C)C2CC2)[nH]1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is KCVQGOPGUMGIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8(15(3)10-4-5-10)6-13-18(16,17)11-7-12-9(2)14-11/h7-8,10,13H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103908329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).