N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide

C16H23NO3S — CID 122276557

IUPACN-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NC1CCC12CCOCC2
InChIInChI=1S/C16H23NO3S/c18-21(19,13-7-14-4-2-1-3-5-14)17-15-6-8-16(15)9-11-20-12-10-16/h1-5,15,17H,6-13H2
InChIKeyCFGISMWURPPATB-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.11
Rot. Bonds5

About N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide

N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide (PubChem CID 122276557) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide
PubChem CID122276557
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NC1CCC12CCOCC2
InChIInChI=1S/C16H23NO3S/c18-21(19,13-7-14-4-2-1-3-5-14)17-15-6-8-16(15)9-11-20-12-10-16/h1-5,15,17H,6-13H2
InChIKeyCFGISMWURPPATB-UHFFFAOYSA-N
XLogP2.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide
CID 146080238
2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276603
N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide
CID 122276632
N-(7-oxaspiro[3.5]nonan-3-yl)cyclopropanesulfonamide
CID 122276541
N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
CID 131657367
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121109573
N-(7-oxaspiro[3.5]nonan-3-yl)ethenesulfonamide
CID 167896851
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-phenylethanesulfonamide
CID 80691949
1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea
CID 124874916
N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide
CID 122276201
N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide
CID 113025343
N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
CID 97483991

Frequently Asked Questions

What is the IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide?
The IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide (CID 122276557) is N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NC1CCC12CCOCC2.
What is the InChIKey of N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide?
The InChIKey is CFGISMWURPPATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c18-21(19,13-7-14-4-2-1-3-5-14)17-15-6-8-16(15)9-11-20-12-10-16/h1-5,15,17H,6-13H2.
What are the key properties of N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide?
N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide is sourced from PubChem (CID 122276557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).