N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide

C13H23NO3S2 — CID 111448426

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C13H23NO3S2/c1-12(2,3)6-8-19(16,17)14-10-13(4,15)11-5-7-18-9-11/h5,7,9,14-15H,6,8,10H2,1-4H3
InChIKeyJBYMWCFMYXVTCD-UHFFFAOYSA-N
MW305.46 g/mol
LogP2.31
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 111448426) has the molecular formula C13H23NO3S2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID111448426
Molecular FormulaC13H23NO3S2
Molecular Weight305.46 g/mol
Exact Mass305.11
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C13H23NO3S2/c1-12(2,3)6-8-19(16,17)14-10-13(4,15)11-5-7-18-9-11/h5,7,9,14-15H,6,8,10H2,1-4H3
InChIKeyJBYMWCFMYXVTCD-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide
CID 97239434
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 97065958
N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide
CID 57166423
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide
CID 110664059
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531
2-(4-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpropanamide
CID 111519809

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide (CID 111448426) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCC(C)(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is JBYMWCFMYXVTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S2/c1-12(2,3)6-8-19(16,17)14-10-13(4,15)11-5-7-18-9-11/h5,7,9,14-15H,6,8,10H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 305.46 g/mol, XLogP of 2.31, 6 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-ylpropyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 111448426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).