N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide

C11H19NO3S2 — CID 71782464

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C11H19NO3S2/c1-3-4-8-17(14,15)12-9-11(2,13)10-6-5-7-16-10/h5-7,12-13H,3-4,8-9H2,1-2H3
InChIKeyRHMWWLVQAIBYCO-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.68
Rot. Bonds7

About N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide (PubChem CID 71782464) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
PubChem CID71782464
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C11H19NO3S2/c1-3-4-8-17(14,15)12-9-11(2,13)10-6-5-7-16-10/h5-7,12-13H,3-4,8-9H2,1-2H3
InChIKeyRHMWWLVQAIBYCO-UHFFFAOYSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide
CID 97258053
N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide
CID 90500202
N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 71782466
N-(2-amino-2-methylpropyl)butane-1-sulfonamide
CID 115303565
3,3,3-trifluoro-N-(2-hydroxy-2,2-dithiophen-2-ylethyl)propane-1-sulfonamide
CID 119101170
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide
CID 90500244
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95983491
3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
CID 95983496

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide (CID 71782464) is N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide?
The InChIKey is RHMWWLVQAIBYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-3-4-8-17(14,15)12-9-11(2,13)10-6-5-7-16-10/h5-7,12-13H,3-4,8-9H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 1.68, 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-2-ylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 71782464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).