N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide

C11H15N3O3S2 — CID 97355056

IUPACN-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCc1ccsc1[C@@H](O)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C11H15N3O3S2/c1-8-3-4-18-11(8)9(15)5-13-19(16,17)10-6-14(2)7-12-10/h3-4,6-7,9,13,15H,5H2,1-2H3/t9-/m0/s1
InChIKeyPCHBLAYOIDFWOW-VIFPVBQESA-N
MW301.39 g/mol
LogP0.80
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide

N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 97355056) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID97355056
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC NameN-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCc1ccsc1[C@@H](O)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C11H15N3O3S2/c1-8-3-4-18-11(8)9(15)5-13-19(16,17)10-6-14(2)7-12-10/h3-4,6-7,9,13,15H,5H2,1-2H3/t9-/m0/s1
InChIKeyPCHBLAYOIDFWOW-VIFPVBQESA-N
XLogP0.80
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-2-isopropyl-1-methyl-1H-imidazole-4-sulfonamide
CID 91630903
(R)-1-cyclopropyl-2-(1-methyl-4-imidazolylsulfonylamino)-1-(2-thienyl)-1-ethanol
CID 97355063
(S)-3-(1-methyl-4-imidazolylsulfonylamino)-1-(2-thienyl)-1-propanol
CID 97355179
(R)-2-(1-methyl-4-imidazolylsulfonylamino)-1-[p-(methylthio)phenyl]-1-ethanol
CID 97416977
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide
CID 75505721
1-(2-Ethylthiophen-3-yl)-2-imidazol-1-ylethanol
CID 70550657
(1-Methylimidazol-2-yl)-(3-methylthiophen-2-yl)methanol
CID 49960995
2-(1-Imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
CID 54958917
(3-Methylthiophen-2-yl)-(1-propylimidazol-2-yl)methanol
CID 61316107
(1-Ethylimidazol-2-yl)-(3-methylthiophen-2-yl)methanol
CID 61316487
2-(2-Imidazol-1-ylethylamino)-1-thiophen-2-ylethanol
CID 61462951
2-(4-Imidazol-1-ylbutylamino)-1-thiophen-2-ylethanol
CID 61881732

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide (CID 97355056) is N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide is Cc1ccsc1[C@@H](O)CNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is PCHBLAYOIDFWOW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-8-3-4-18-11(8)9(15)5-13-19(16,17)10-6-14(2)7-12-10/h3-4,6-7,9,13,15H,5H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide?
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 97355056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).