(5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C17H28N2O4S — CID 97118711

IUPAC(5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC[C@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1=O
InChIInChI=1S/C17H28N2O4S/c1-13(2)19-8-3-6-17(16(19)21)7-9-18(12-17)15(20)14-4-10-24(22,23)11-5-14/h13-14H,3-12H2,1-2H3/t17-/m1/s1
InChIKeyHXZMGIXORCIIAK-QGZVFWFLSA-N
MW356.49 g/mol
LogP1.06
Rot. Bonds2

About (5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97118711) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is (5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97118711
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name(5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC[C@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1=O
InChIInChI=1S/C17H28N2O4S/c1-13(2)19-8-3-6-17(16(19)21)7-9-18(12-17)15(20)14-4-10-24(22,23)11-5-14/h13-14H,3-12H2,1-2H3/t17-/m1/s1
InChIKeyHXZMGIXORCIIAK-QGZVFWFLSA-N
XLogP1.06
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

3-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 97134718
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893
2-(2-methyl-1H-pyrrole-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72847802
(5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25384072
5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione
CID 97136315
(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97118729
7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72924434
2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72851128
7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72840672
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852
(5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97149053
(6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97142136

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 97118711) is (5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCC[C@]2(CCN(C(=O)C3CCS(=O)(=O)CC3)C2)C1=O.
What is the InChIKey of (5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HXZMGIXORCIIAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-13(2)19-8-3-6-17(16(19)21)7-9-18(12-17)15(20)14-4-10-24(22,23)11-5-14/h13-14H,3-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 356.49 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(1,1-dioxothiane-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97118711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).