N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide

C8H15N3O3S2 — CID 103835702

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H15N3O3S2/c1-8(12,5-15-2)4-11-16(13,14)7-3-9-6-10-7/h3,6,11-12H,4-5H2,1-2H3,(H,9,10)
InChIKeyKFWKDOKXCCKULA-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.20
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide (PubChem CID 103835702) has the molecular formula C8H15N3O3S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide
PubChem CID103835702
Molecular FormulaC8H15N3O3S2
Molecular Weight265.36 g/mol
Exact Mass265.06
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H15N3O3S2/c1-8(12,5-15-2)4-11-16(13,14)7-3-9-6-10-7/h3,6,11-12H,4-5H2,1-2H3,(H,9,10)
InChIKeyKFWKDOKXCCKULA-UHFFFAOYSA-N
XLogP-0.20
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-5-sulfonamide
CID 106245543
3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide
CID 103824162
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 90523077
N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide
CID 106251055
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
CID 113414965
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylbenzenesulfonamide
CID 103835619
2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 103835588
1-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]methanesulfonamide
CID 95984165
2-[4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]phenyl]acetic acid
CID 106244692
N-(1-methoxy-2-methylpropan-2-yl)-1H-imidazole-5-sulfonamide
CID 115640418
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoate
CID 103835697

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide (CID 103835702) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide is CSCC(C)(O)CNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide?
The InChIKey is KFWKDOKXCCKULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S2/c1-8(12,5-15-2)4-11-16(13,14)7-3-9-6-10-7/h3,6,11-12H,4-5H2,1-2H3,(H,9,10).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide has a molecular weight of 265.36 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103835702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).