5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide

C14H17BrN2O3S3 — CID 124759272

IUPAC5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccco1)N1CCSCC1)c1ccc(Br)s1
InChIInChI=1S/C14H17BrN2O3S3/c15-13-3-4-14(22-13)23(18,19)16-10-11(12-2-1-7-20-12)17-5-8-21-9-6-17/h1-4,7,11,16H,5-6,8-10H2/t11-/m0/s1
InChIKeyCJQWHMIFTMRHQZ-NSHDSACASA-N
MW437.41 g/mol
LogP3.17
Rot. Bonds6

About 5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide

5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide (PubChem CID 124759272) has the molecular formula C14H17BrN2O3S3 and a molecular weight of 437.41 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide
PubChem CID124759272
Molecular FormulaC14H17BrN2O3S3
Molecular Weight437.41 g/mol
Exact Mass435.96
IUPAC Name5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccco1)N1CCSCC1)c1ccc(Br)s1
InChIInChI=1S/C14H17BrN2O3S3/c15-13-3-4-14(22-13)23(18,19)16-10-11(12-2-1-7-20-12)17-5-8-21-9-6-17/h1-4,7,11,16H,5-6,8-10H2/t11-/m0/s1
InChIKeyCJQWHMIFTMRHQZ-NSHDSACASA-N
XLogP3.17
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 124760266
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide
CID 7525665
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]thiophene-2-sulfonamide
CID 7525663
4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 22584293
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
methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate
CID 124727899
1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 55245447
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 5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide (CID 124759272) is 5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide is O=S(=O)(NC[C@@H](c1ccco1)N1CCSCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide?
The InChIKey is CJQWHMIFTMRHQZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H17BrN2O3S3/c15-13-3-4-14(22-13)23(18,19)16-10-11(12-2-1-7-20-12)17-5-8-21-9-6-17/h1-4,7,11,16H,5-6,8-10H2/t11-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide?
5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide has a molecular weight of 437.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 124759272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).