N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide

C10H17NO3S2 — CID 103916548

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(O)c1ccsc1
InChIInChI=1S/C10H17NO3S2/c1-2-3-6-16(13,14)11-7-10(12)9-4-5-15-8-9/h4-5,8,10-12H,2-3,6-7H2,1H3
InChIKeyQNRYRUIJPLRUNU-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.50
Rot. Bonds7

About N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide

N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide (PubChem CID 103916548) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide
PubChem CID103916548
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(O)c1ccsc1
InChIInChI=1S/C10H17NO3S2/c1-2-3-6-16(13,14)11-7-10(12)9-4-5-15-8-9/h4-5,8,10-12H,2-3,6-7H2,1H3
InChIKeyQNRYRUIJPLRUNU-UHFFFAOYSA-N
XLogP1.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide
CID 103916531
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol
CID 102846389
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide
CID 106434973
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114188652
5-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbenzenesulfonamide
CID 106434445
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 113351389

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide (CID 103916548) is N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide?
The InChIKey is QNRYRUIJPLRUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c1-2-3-6-16(13,14)11-7-10(12)9-4-5-15-8-9/h4-5,8,10-12H,2-3,6-7H2,1H3.
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide has a molecular weight of 263.38 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 103916548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).