3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide

C18H25NO5S — CID 70781484

IUPAC3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H25NO5S/c20-17(7-13-25(21,22)16-4-2-1-3-5-16)19-15-6-10-24-18(14-15)8-11-23-12-9-18/h1-5,15H,6-14H2,(H,19,20)
InChIKeyAIRUUITZPXHOBU-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.69
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide

3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide (PubChem CID 70781484) has the molecular formula C18H25NO5S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide
PubChem CID70781484
Molecular FormulaC18H25NO5S
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC Name3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H25NO5S/c20-17(7-13-25(21,22)16-4-2-1-3-5-16)19-15-6-10-24-18(14-15)8-11-23-12-9-18/h1-5,15H,6-14H2,(H,19,20)
InChIKeyAIRUUITZPXHOBU-UHFFFAOYSA-N
XLogP1.69
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-3-hydroxy-3-(tetrahydro-4H-pyran-4-yl)propyl]3-(phenylsulfonyl)propionamide
CID 99996763
1,9-Dioxaspiro[5.5]undec-4-yl{2-[(4-fluorophenyl)sulfonyl]ethyl}amine
CID 70777270
(4R)-N-[2-(4-fluorophenyl)sulfonylethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96580441
(4S)-N-[2-(4-fluorophenyl)sulfonylethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96580442
3-[(4-methylphenyl)sulfonyl]-N-(tetrahydro-2H-pyran-3-ylmethyl)propanamide
CID 91768285
N-(2-phenylsulfanylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79902630
N-(3-hydroxy-3-(tetrahydro-2H-pyran-4-yl)propyl)-3-(phenylsulfonyl)propanamide
CID 86266645
3-(phenylsulfonyl)-N-((1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)methyl)propanamide
CID 91813014
3-(benzenesulfonyl)-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]propanamide
CID 96407003
3-(benzenesulfonyl)-N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]propanamide
CID 96407005
3-(benzenesulfonyl)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide
CID 99996767
3-(4-methylphenyl)sulfonyl-N-[[(3S)-oxan-3-yl]methyl]propanamide
CID 100034453

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide (CID 70781484) is 3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide?
The InChIKey is AIRUUITZPXHOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5S/c20-17(7-13-25(21,22)16-4-2-1-3-5-16)19-15-6-10-24-18(14-15)8-11-23-12-9-18/h1-5,15H,6-14H2,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide?
3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide has a molecular weight of 367.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)propanamide is sourced from PubChem (CID 70781484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).