N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide

C11H22N4O2S — CID 79668448

IUPACN-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H22N4O2S/c1-4-5-15(8-11(2,3)7-12)18(16,17)10-6-13-9-14-10/h6,9H,4-5,7-8,12H2,1-3H3,(H,13,14)
InChIKeyNNCPNBWWGMDJMA-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.80
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide (PubChem CID 79668448) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide
PubChem CID79668448
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H22N4O2S/c1-4-5-15(8-11(2,3)7-12)18(16,17)10-6-13-9-14-10/h6,9H,4-5,7-8,12H2,1-3H3,(H,13,14)
InChIKeyNNCPNBWWGMDJMA-UHFFFAOYSA-N
XLogP0.80
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide (CID 79668448) is N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide is CCCN(CC(C)(C)CN)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide?
The InChIKey is NNCPNBWWGMDJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-4-5-15(8-11(2,3)7-12)18(16,17)10-6-13-9-14-10/h6,9H,4-5,7-8,12H2,1-3H3,(H,13,14).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79668448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).