N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide

C13H23NO4S — CID 102867055

IUPACN-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)N(CCCO)C1CCC1
InChIInChI=1S/C13H23NO4S/c15-7-2-6-14(12-3-1-4-12)13(16)9-11-5-8-19(17,18)10-11/h11-12,15H,1-10H2
InChIKeyNWLWCCXEJKFJEP-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.57
Rot. Bonds6

About N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide

N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide (PubChem CID 102867055) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide
PubChem CID102867055
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC NameN-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)N(CCCO)C1CCC1
InChIInChI=1S/C13H23NO4S/c15-7-2-6-14(12-3-1-4-12)13(16)9-11-5-8-19(17,18)10-11/h11-12,15H,1-10H2
InChIKeyNWLWCCXEJKFJEP-UHFFFAOYSA-N
XLogP0.57
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide
CID 63638478
N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 66216056
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
CID 39871724
N-cyclobutyl-2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)acetamide
CID 102866471
N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxyacetamide
CID 102866415
methyl 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]-propylamino]acetate
CID 55006150
2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 43649177
N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 102867547
2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866283
N,2-dicyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576624
2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 102870203

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide (CID 102867055) is N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide is O=C(CC1CCS(=O)(=O)C1)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is NWLWCCXEJKFJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c15-7-2-6-14(12-3-1-4-12)13(16)9-11-5-8-19(17,18)10-11/h11-12,15H,1-10H2.
What are the key properties of N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide?
N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 102867055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).