2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C19H28N2O4S — CID 72906621

IUPAC2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(S(=O)(=O)CCOc3ccccc3)C2)C1=O
InChIInChI=1S/C19H28N2O4S/c1-16(2)21-11-6-9-19(18(21)22)10-12-20(15-19)26(23,24)14-13-25-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3
InChIKeyDLMVGXWTPPPNNN-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.12
Rot. Bonds6

About 2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72906621) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72906621
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(S(=O)(=O)CCOc3ccccc3)C2)C1=O
InChIInChI=1S/C19H28N2O4S/c1-16(2)21-11-6-9-19(18(21)22)10-12-20(15-19)26(23,24)14-13-25-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3
InChIKeyDLMVGXWTPPPNNN-UHFFFAOYSA-N
XLogP2.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-(4-phenoxybutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97122223
(5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97138589
(5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane
CID 125438777
(5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97112572
5-[(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)sulfonyl]-1H-pyrimidine-2,4-dione
CID 72853191
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97139553
(5R)-7-propan-2-yl-2-(3-prop-2-enoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148863
1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine
CID 90518198
1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione
CID 5337885
9-benzylsulfonyl-2-[(4-phenoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 69438102
7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72838415
(5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119315

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72906621) is 2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(S(=O)(=O)CCOc3ccccc3)C2)C1=O.
What is the InChIKey of 2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DLMVGXWTPPPNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-16(2)21-11-6-9-19(18(21)22)10-12-20(15-19)26(23,24)14-13-25-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3.
What are the key properties of 2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 380.51 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethylsulfonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72906621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).