N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C16H24N4O3S2 — CID 124759678

IUPACN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCSCC1
InChIInChI=1S/C16H24N4O3S2/c1-12-16(13(2)19(3)18-12)25(21,22)17-11-14(15-5-4-8-23-15)20-6-9-24-10-7-20/h4-5,8,14,17H,6-7,9-11H2,1-3H3/t14-/m0/s1
InChIKeyHMIIRUYCRHKMBV-AWEZNQCLSA-N
MW384.53 g/mol
LogP1.70
Rot. Bonds6

About N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 124759678) has the molecular formula C16H24N4O3S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID124759678
Molecular FormulaC16H24N4O3S2
Molecular Weight384.53 g/mol
Exact Mass384.13
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCSCC1
InChIInChI=1S/C16H24N4O3S2/c1-12-16(13(2)19(3)18-12)25(21,22)17-11-14(15-5-4-8-23-15)20-6-9-24-10-7-20/h4-5,8,14,17H,6-7,9-11H2,1-3H3/t14-/m0/s1
InChIKeyHMIIRUYCRHKMBV-AWEZNQCLSA-N
XLogP1.70
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.70
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-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 124760266
5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide
CID 124759272
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 122266192
N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 163350050
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 40774908
N-(2-chloro-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65033281
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide
CID 124727618
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124877563
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 7243445
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 124759678) is N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCSCC1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is HMIIRUYCRHKMBV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O3S2/c1-12-16(13(2)19(3)18-12)25(21,22)17-11-14(15-5-4-8-23-15)20-6-9-24-10-7-20/h4-5,8,14,17H,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]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 384.53 g/mol, XLogP of 1.70, 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]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 124759678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).