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

C24H37N3O4S — CID 130202870

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C24H37N3O4S/c1-25(2)24(20-8-5-4-6-9-20)14-12-22(13-15-24)18-26(16-17-32(3,30)31)21(28)27(22)19-23(29)10-7-11-23/h4-6,8-9,29H,7,10-19H2,1-3H3
InChIKeySMVBNPIXERKTKH-UHFFFAOYSA-N
MW463.64 g/mol
LogP2.45
Rot. Bonds7

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

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202870) has the molecular formula C24H37N3O4S and a molecular weight of 463.64 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202870
Molecular FormulaC24H37N3O4S
Molecular Weight463.64 g/mol
Exact Mass463.25
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C24H37N3O4S/c1-25(2)24(20-8-5-4-6-9-20)14-12-22(13-15-24)18-26(16-17-32(3,30)31)21(28)27(22)19-23(29)10-7-11-23/h4-6,8-9,29H,7,10-19H2,1-3H3
InChIKeySMVBNPIXERKTKH-UHFFFAOYSA-N
XLogP2.45
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.64
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202870) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is SMVBNPIXERKTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4S/c1-25(2)24(20-8-5-4-6-9-20)14-12-22(13-15-24)18-26(16-17-32(3,30)31)21(28)27(22)19-23(29)10-7-11-23/h4-6,8-9,29H,7,10-19H2,1-3H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 463.64 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).