N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide

C11H20N4O2S — CID 113283535

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC(C)(CN)C2CC2)cn1C
InChIInChI=1S/C11H20N4O2S/c1-8-13-10(6-15(8)3)18(16,17)14-11(2,7-12)9-4-5-9/h6,9,14H,4-5,7,12H2,1-3H3
InChIKeyLFBWKCNWVPSWLQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.13
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 113283535) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID113283535
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC(C)(CN)C2CC2)cn1C
InChIInChI=1S/C11H20N4O2S/c1-8-13-10(6-15(8)3)18(16,17)14-11(2,7-12)9-4-5-9/h6,9,14H,4-5,7,12H2,1-3H3
InChIKeyLFBWKCNWVPSWLQ-UHFFFAOYSA-N
XLogP0.13
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 62373927
N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide
CID 84591328
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
3-ethyl-N-methyl-N-(1-methylcyclopentyl)imidazole-4-sulfonamide
CID 137955579
(3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine
CID 164631900
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine
CID 62373439
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 107493854
N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 107493939
N-(4,4-difluorocyclohexyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 121194127
4-[2,2-Dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-1-ethyl-2-methylimidazole
CID 137924358
1-(propan-2-yl)-N-{[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl}-1H-imidazole-4-sulfonamide
CID 137966215

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide (CID 113283535) is N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC(C)(CN)C2CC2)cn1C.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is LFBWKCNWVPSWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-13-10(6-15(8)3)18(16,17)14-11(2,7-12)9-4-5-9/h6,9,14H,4-5,7,12H2,1-3H3.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 113283535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).