N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide

C14H26N2O4S — CID 60690133

IUPACN-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCCCC1CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O4S/c1-15(13-6-9-21(19,20)11-13)14(18)10-16-7-3-2-4-12(16)5-8-17/h12-13,17H,2-11H2,1H3
InChIKeyPUXJSBQTJXIJFN-UHFFFAOYSA-N
MW318.44 g/mol
LogP-0.13
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide

N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide (PubChem CID 60690133) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
PubChem CID60690133
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCCCC1CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O4S/c1-15(13-6-9-21(19,20)11-13)14(18)10-16-7-3-2-4-12(16)5-8-17/h12-13,17H,2-11H2,1H3
InChIKeyPUXJSBQTJXIJFN-UHFFFAOYSA-N
XLogP-0.13
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide
CID 109001904
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490485
N-cyclohexyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 60684649
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80506970
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 56829006
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 98765175
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-methylacetamide
CID 51673209
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-methylacetamide
CID 124811995
N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide
CID 164640103
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110852974
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-pyrrolidin-1-ylpropanamide
CID 110688152
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689904

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide (CID 60690133) is N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide is CN(C(=O)CN1CCCCC1CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide?
The InChIKey is PUXJSBQTJXIJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-15(13-6-9-21(19,20)11-13)14(18)10-16-7-3-2-4-12(16)5-8-17/h12-13,17H,2-11H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide has a molecular weight of 318.44 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 60690133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).