8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C22H32N4O4S — CID 130200470

IUPAC8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2
InChIInChI=1S/C22H32N4O4S/c1-24(2)22(18-6-4-3-5-7-18)10-8-21(9-11-22)17-26(20(28)23-21)16-19(27)25-12-14-31(29,30)15-13-25/h3-7H,8-17H2,1-2H3,(H,23,28)
InChIKeyIPWFOIDGKJZTLV-UHFFFAOYSA-N
MW448.59 g/mol
LogP1.04
Rot. Bonds4

About 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200470) has the molecular formula C22H32N4O4S and a molecular weight of 448.59 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200470
Molecular FormulaC22H32N4O4S
Molecular Weight448.59 g/mol
Exact Mass448.21
IUPAC Name8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2
InChIInChI=1S/C22H32N4O4S/c1-24(2)22(18-6-4-3-5-7-18)10-8-21(9-11-22)17-26(20(28)23-21)16-19(27)25-12-14-31(29,30)15-13-25/h3-7H,8-17H2,1-2H3,(H,23,28)
InChIKeyIPWFOIDGKJZTLV-UHFFFAOYSA-N
XLogP1.04
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200470) is 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is IPWFOIDGKJZTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S/c1-24(2)22(18-6-4-3-5-7-18)10-8-21(9-11-22)17-26(20(28)23-21)16-19(27)25-12-14-31(29,30)15-13-25/h3-7H,8-17H2,1-2H3,(H,23,28).
What are the key properties of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 448.59 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).