N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide

C10H18N4O2S — CID 62064635

IUPACN-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CC(N)C2)nc1C
InChIInChI=1S/C10H18N4O2S/c1-3-14-6-10(12-7(14)2)17(15,16)13-9-4-8(11)5-9/h6,8-9,13H,3-5,11H2,1-2H3
InChIKeySJVDBGFCXAZELZ-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.02
Rot. Bonds4

About N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 62064635) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID62064635
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CC(N)C2)nc1C
InChIInChI=1S/C10H18N4O2S/c1-3-14-6-10(12-7(14)2)17(15,16)13-9-4-8(11)5-9/h6,8-9,13H,3-5,11H2,1-2H3
InChIKeySJVDBGFCXAZELZ-UHFFFAOYSA-N
XLogP-0.02
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 55030774
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
1-ethyl-N-(4-hydroxycyclohexyl)-2-methylimidazole-4-sulfonamide
CID 62065886
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63044572
N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 55153288
N-[(3-chlorocyclohexyl)methyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 106136042
N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356
N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 65030909
1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide
CID 79043531
1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide
CID 136533396
N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 114419083
N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063676

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 62064635) is N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CC(N)C2)nc1C.
What is the InChIKey of N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is SJVDBGFCXAZELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-14-6-10(12-7(14)2)17(15,16)13-9-4-8(11)5-9/h6,8-9,13H,3-5,11H2,1-2H3.
What are the key properties of N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62064635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).