N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide

C14H20N4O3S2 — CID 124877821

IUPACN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)cn1
InChIInChI=1S/C14H20N4O3S2/c1-17-11-12(9-15-17)23(19,20)16-10-13(14-3-2-6-21-14)18-4-7-22-8-5-18/h2-3,6,9,11,13,16H,4-5,7-8,10H2,1H3/t13-/m0/s1
InChIKeyVFXNHWCZBBTDHG-ZDUSSCGKSA-N
MW356.47 g/mol
LogP1.08
Rot. Bonds6

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

N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 124877821) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID124877821
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)cn1
InChIInChI=1S/C14H20N4O3S2/c1-17-11-12(9-15-17)23(19,20)16-10-13(14-3-2-6-21-14)18-4-7-22-8-5-18/h2-3,6,9,11,13,16H,4-5,7-8,10H2,1H3/t13-/m0/s1
InChIKeyVFXNHWCZBBTDHG-ZDUSSCGKSA-N
XLogP1.08
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.08
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-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 124760266
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
6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide
CID 110302582
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide
CID 124727618
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 7163117
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 55559240
4-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 7243475
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51169408
4-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 124705074
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 7243445
2-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methylsulfonylbenzenesulfonamide
CID 47070129

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide (CID 124877821) is N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)cn1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is VFXNHWCZBBTDHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-17-11-12(9-15-17)23(19,20)16-10-13(14-3-2-6-21-14)18-4-7-22-8-5-18/h2-3,6,9,11,13,16H,4-5,7-8,10H2,1H3/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide?
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 356.47 g/mol, XLogP of 1.08, 6 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-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 124877821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).