N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide

C9H18N4O2S — CID 115303585

IUPACN-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCC(C)(C)N)[nH]1
InChIInChI=1S/C9H18N4O2S/c1-4-7-11-5-8(13-7)16(14,15)12-6-9(2,3)10/h5,12H,4,6,10H2,1-3H3,(H,11,13)
InChIKeyXBOXGPUUBRJFAG-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.01
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide

N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 115303585) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID115303585
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCC(C)(C)N)[nH]1
InChIInChI=1S/C9H18N4O2S/c1-4-7-11-5-8(13-7)16(14,15)12-6-9(2,3)10/h5,12H,4,6,10H2,1-3H3,(H,11,13)
InChIKeyXBOXGPUUBRJFAG-UHFFFAOYSA-N
XLogP-0.01
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106279668
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 66005194
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate
CID 83204432
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 113430471
N-[[4-(chloromethyl)phenyl]methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107234053
2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
CID 107232013

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 115303585) is N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCC(C)(C)N)[nH]1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is XBOXGPUUBRJFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-4-7-11-5-8(13-7)16(14,15)12-6-9(2,3)10/h5,12H,4,6,10H2,1-3H3,(H,11,13).
What are the key properties of N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 115303585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).