8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H28N2O3S — CID 72880462

IUPAC8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(S(=O)(=O)C3CC3)C2)CN1CCc1ccccc1
InChIInChI=1S/C20H28N2O3S/c23-19-9-12-20(15-21(19)14-10-17-5-2-1-3-6-17)11-4-13-22(16-20)26(24,25)18-7-8-18/h1-3,5-6,18H,4,7-16H2
InChIKeyMAUUKXQOJRCDNS-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.43
Rot. Bonds5

About 8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72880462) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72880462
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(S(=O)(=O)C3CC3)C2)CN1CCc1ccccc1
InChIInChI=1S/C20H28N2O3S/c23-19-9-12-20(15-21(19)14-10-17-5-2-1-3-6-17)11-4-13-22(16-20)26(24,25)18-7-8-18/h1-3,5-6,18H,4,7-16H2
InChIKeyMAUUKXQOJRCDNS-UHFFFAOYSA-N
XLogP2.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-cyclopentyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70707226
8-(benzenesulfonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70717072
N,N-dimethyl-2-[3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 70714257
(6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580176
(6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97156335
(6R)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96574038
2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile
CID 97279265
8-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863973
1-cyclopropylsulfonyl-4-(2-phenylethyl)-1,4-diazepane
CID 154853744
(6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97122794
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
(6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97127084

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72880462) is 8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(S(=O)(=O)C3CC3)C2)CN1CCc1ccccc1.
What is the InChIKey of 8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is MAUUKXQOJRCDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c23-19-9-12-20(15-21(19)14-10-17-5-2-1-3-6-17)11-4-13-22(16-20)26(24,25)18-7-8-18/h1-3,5-6,18H,4,7-16H2.
What are the key properties of 8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 376.52 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72880462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).