8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol

C19H31N3O3S — CID 138512704

IUPAC8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(O)N2
InChIInChI=1S/C19H31N3O3S/c1-21(2)19(16-7-5-4-6-8-16)11-9-18(10-12-19)15-22(17(23)20-18)13-14-26(3,24)25/h4-8,17,20,23H,9-15H2,1-3H3
InChIKeyJLHWNWPAKPZSLK-UHFFFAOYSA-N
MW381.54 g/mol
LogP0.98
Rot. Bonds5

About 8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol

8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol (PubChem CID 138512704) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol.

Molecular Properties

Compound Name8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
PubChem CID138512704
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(O)N2
InChIInChI=1S/C19H31N3O3S/c1-21(2)19(16-7-5-4-6-8-16)11-9-18(10-12-19)15-22(17(23)20-18)13-14-26(3,24)25/h4-8,17,20,23H,9-15H2,1-3H3
InChIKeyJLHWNWPAKPZSLK-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
CID 135231325
3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 146430046
8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol
CID 138534482
8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
CID 138534564
8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201282
8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
CID 138534583
8-(dimethylamino)-3-ethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130246925
8-(dimethylamino)-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-ol
CID 130222936
8-(dimethylamino)-3-(3-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201120
5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid
CID 156757627
8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201419
8-(dimethylamino)-3-(2-fluorophenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130200962

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?
The IUPAC name of 8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol (CID 138512704) is 8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol.
What is the SMILES notation for 8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?
The canonical SMILES for 8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(O)N2.
What is the InChIKey of 8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?
The InChIKey is JLHWNWPAKPZSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-21(2)19(16-7-5-4-6-8-16)11-9-18(10-12-19)15-22(17(23)20-18)13-14-26(3,24)25/h4-8,17,20,23H,9-15H2,1-3H3.
What are the key properties of 8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?
8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol has a molecular weight of 381.54 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol is sourced from PubChem (CID 138512704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).