N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide

C18H28N2O3S — CID 131657367

IUPACN-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1COCCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C18H28N2O3S/c1-24(21,22)19-17-15-23-14-10-18(17)8-12-20(13-9-18)11-7-16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3
InChIKeyGDXYRAMREIYKFU-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.65
Rot. Bonds5

About N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide

N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide (PubChem CID 131657367) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
PubChem CID131657367
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1COCCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C18H28N2O3S/c1-24(21,22)19-17-15-23-14-10-18(17)8-12-20(13-9-18)11-7-16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3
InChIKeyGDXYRAMREIYKFU-UHFFFAOYSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
CID 97483991
2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
CID 131645168
2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
CID 131659035
N-[9-[(4-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155834459
N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
CID 97486654
N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 124782595
N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide
CID 122276557
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 138806270
methane;4-(2-phenylethyl)morpholine
CID 143698819
N-[[(3aR,6aS)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 124784233
N-(9-acetyl-3-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
CID 131662078
9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118740784

Frequently Asked Questions

What is the IUPAC name of N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
The IUPAC name of N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide (CID 131657367) is N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide.
What is the SMILES notation for N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
The canonical SMILES for N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide is CS(=O)(=O)NC1COCCC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
The InChIKey is GDXYRAMREIYKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-24(21,22)19-17-15-23-14-10-18(17)8-12-20(13-9-18)11-7-16-5-3-2-4-6-16/h2-6,17,19H,7-15H2,1H3.
What are the key properties of N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide is sourced from PubChem (CID 131657367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).