N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

C17H26N4O3S2 — CID 124760266

IUPACN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)cn1C
InChIInChI=1S/C17H26N4O3S2/c1-13(2)17-19-16(12-20(17)3)26(22,23)18-11-14(15-5-4-8-24-15)21-6-9-25-10-7-21/h4-5,8,12-14,18H,6-7,9-11H2,1-3H3/t14-/m0/s1
InChIKeyKQOLXQAURCAPTO-AWEZNQCLSA-N
MW398.55 g/mol
LogP2.20
Rot. Bonds7

About N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 124760266) has the molecular formula C17H26N4O3S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID124760266
Molecular FormulaC17H26N4O3S2
Molecular Weight398.55 g/mol
Exact Mass398.14
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)cn1C
InChIInChI=1S/C17H26N4O3S2/c1-13(2)17-19-16(12-20(17)3)26(22,23)18-11-14(15-5-4-8-24-15)21-6-9-25-10-7-21/h4-5,8,12-14,18H,6-7,9-11H2,1-3H3/t14-/m0/s1
InChIKeyKQOLXQAURCAPTO-AWEZNQCLSA-N
XLogP2.20
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 124877821
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 124759678
5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide
CID 124759272
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide
CID 124727618
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 119101140
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124877563
methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate
CID 124727899
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 7243445
N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642
1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 91625884
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 7163117

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (CID 124760266) is N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)cn1C.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is KQOLXQAURCAPTO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O3S2/c1-13(2)17-19-16(12-20(17)3)26(22,23)18-11-14(15-5-4-8-24-15)21-6-9-25-10-7-21/h4-5,8,12-14,18H,6-7,9-11H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 398.55 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 124760266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).