N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide

C10H18N4O2S — CID 66005194

IUPACN-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCC2CC(N)C2)[nH]1
InChIInChI=1S/C10H18N4O2S/c1-2-9-12-6-10(14-9)17(15,16)13-5-7-3-8(11)4-7/h6-8,13H,2-5,11H2,1H3,(H,12,14)
InChIKeyDXBAMORPITVKDU-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.01
Rot. Bonds5

About N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide

N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 66005194) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID66005194
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCC2CC(N)C2)[nH]1
InChIInChI=1S/C10H18N4O2S/c1-2-9-12-6-10(14-9)17(15,16)13-5-7-3-8(11)4-7/h6-8,13H,2-5,11H2,1H3,(H,12,14)
InChIKeyDXBAMORPITVKDU-UHFFFAOYSA-N
XLogP-0.01
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 66004609
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
N-(2-cyclopropylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 113476004
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-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 114955854
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 66004178
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
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide (CID 66005194) is N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCC2CC(N)C2)[nH]1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is DXBAMORPITVKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-2-9-12-6-10(14-9)17(15,16)13-5-7-3-8(11)4-7/h6-8,13H,2-5,11H2,1H3,(H,12,14).
What are the key properties of N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide?
N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 258.35 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-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 66005194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).