3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide

C15H21NO4S — CID 114631237

IUPAC3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
SMILESCC1(C)C(O)CC1NC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21NO4S/c1-15(2)12(10-13(15)17)16-14(18)8-9-21(19,20)11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3,(H,16,18)
InChIKeyRTOYBEZHTHHQJO-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.13
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide

3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide (PubChem CID 114631237) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
PubChem CID114631237
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
SMILESCC1(C)C(O)CC1NC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21NO4S/c1-15(2)12(10-13(15)17)16-14(18)8-9-21(19,20)11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3,(H,16,18)
InChIKeyRTOYBEZHTHHQJO-UHFFFAOYSA-N
XLogP1.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-fluorophenyl)thio)-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787594
N-(3-hydroxy-4,4-dimethylpentyl)-3-(phenylthio)propanamide
CID 71787593
3-(2-fluorophenyl)sulfanyl-N-(3-hydroxycyclobutyl)propanamide
CID 65972889
3-(4-fluorophenyl)sulfanyl-N-(3-hydroxycyclobutyl)propanamide
CID 65973794
2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide
CID 75456877
2-(4-fluorophenyl)sulfanyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide
CID 95984630
2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide
CID 95984631
(2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide
CID 97306499
(2R)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide
CID 97306500
2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103940944
3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 103940981
3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 103941133

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide (CID 114631237) is 3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide is CC1(C)C(O)CC1NC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The InChIKey is RTOYBEZHTHHQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-15(2)12(10-13(15)17)16-14(18)8-9-21(19,20)11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3,(H,16,18).
What are the key properties of 3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide has a molecular weight of 311.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide is sourced from PubChem (CID 114631237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).