2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone

C16H28N2O4S — CID 120796476

IUPAC2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)C1CCOCC1
InChIInChI=1S/C16H28N2O4S/c17-14(13-4-9-22-10-5-13)15(19)18-8-11-23(20,21)16(12-18)6-2-1-3-7-16/h13-14H,1-12,17H2
InChIKeyZNTIGAPNLWIXOD-UHFFFAOYSA-N
MW344.48 g/mol
LogP0.70
Rot. Bonds2

About 2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone

2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone (PubChem CID 120796476) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone
PubChem CID120796476
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC Name2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)C1CCOCC1
InChIInChI=1S/C16H28N2O4S/c17-14(13-4-9-22-10-5-13)15(19)18-8-11-23(20,21)16(12-18)6-2-1-3-7-16/h13-14H,1-12,17H2
InChIKeyZNTIGAPNLWIXOD-UHFFFAOYSA-N
XLogP0.70
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(oxan-4-yl)ethanone
CID 120795298
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120788464
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-(oxan-4-yl)ethanone
CID 120791664
2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120792953
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120794119
2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120793643
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
2-amino-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120785200
2-amino-2-(oxan-4-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 120800008
2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120791276
2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 176578739
(2R)-2-amino-2-cyclopropyl-1-(3,3-dimethylpyrrolidin-1-yl)ethanone;ethane
CID 144942279

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone (CID 120796476) is 2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone is NC(C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)C1CCOCC1.
What is the InChIKey of 2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is ZNTIGAPNLWIXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S/c17-14(13-4-9-22-10-5-13)15(19)18-8-11-23(20,21)16(12-18)6-2-1-3-7-16/h13-14H,1-12,17H2.
What are the key properties of 2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone?
2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 344.48 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120796476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).