N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide

C10H19N3O3S — CID 66108004

IUPACN-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC(C)CCO)cn1C
InChIInChI=1S/C10H19N3O3S/c1-8(4-5-14)6-11-17(15,16)10-7-13(3)9(2)12-10/h7-8,11,14H,4-6H2,1-3H3
InChIKeyAEMOMGFUSACRBG-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.03
Rot. Bonds6

About N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide

N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 66108004) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID66108004
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC(C)CCO)cn1C
InChIInChI=1S/C10H19N3O3S/c1-8(4-5-14)6-11-17(15,16)10-7-13(3)9(2)12-10/h7-8,11,14H,4-6H2,1-3H3
InChIKeyAEMOMGFUSACRBG-UHFFFAOYSA-N
XLogP0.03
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 83031032
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
CID 62675545
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 66167715
N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103835178
N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 115752601
N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide
CID 130410993
N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 114295175
N-(2-chloro-2-phenylethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 65033120
N-(2-bromo-2-phenylethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 114295516
1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide
CID 64994260
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
N-(3-cyanopropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62667388

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide (CID 66108004) is N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCC(C)CCO)cn1C.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is AEMOMGFUSACRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-8(4-5-14)6-11-17(15,16)10-7-13(3)9(2)12-10/h7-8,11,14H,4-6H2,1-3H3.
What are the key properties of N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 66108004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).