N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide

C18H32N2O4S — CID 55409917

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCC1CCCCN1CC(=O)N(CC1CCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H32N2O4S/c1-2-15-6-3-4-9-19(15)13-18(21)20(12-17-7-5-10-24-17)16-8-11-25(22,23)14-16/h15-17H,2-14H2,1H3
InChIKeyIIEPXUUHPLZTRR-UHFFFAOYSA-N
MW372.53 g/mol
LogP1.45
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 55409917) has the molecular formula C18H32N2O4S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID55409917
Molecular FormulaC18H32N2O4S
Molecular Weight372.53 g/mol
Exact Mass372.21
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCC1CCCCN1CC(=O)N(CC1CCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H32N2O4S/c1-2-15-6-3-4-9-19(15)13-18(21)20(12-17-7-5-10-24-17)16-8-11-25(22,23)14-16/h15-17H,2-14H2,1H3
InChIKeyIIEPXUUHPLZTRR-UHFFFAOYSA-N
XLogP1.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409815
2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409841
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide
CID 109001904
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3R)-3-methylpiperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124740920
2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409966
3-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95150130
2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94025370
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]-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 51723942
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 124740906
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 40881244

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 55409917) is N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide is CCC1CCCCN1CC(=O)N(CC1CCCO1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IIEPXUUHPLZTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4S/c1-2-15-6-3-4-9-19(15)13-18(21)20(12-17-7-5-10-24-17)16-8-11-25(22,23)14-16/h15-17H,2-14H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 372.53 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 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-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 55409917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).