(5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C20H30N2O2S — CID 97150140

IUPAC(5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CSC12CC3CC(CC(C3)C1)C2)N1CC[C@]2(CCCNC2=O)C1
InChIInChI=1S/C20H30N2O2S/c23-17(22-5-3-19(13-22)2-1-4-21-18(19)24)12-25-20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,1-13H2,(H,21,24)/t14?,15?,16?,19-,20?/m1/s1
InChIKeyXSKLIWAJQVIEOD-JCFBCRGFSA-N
MW362.54 g/mol
LogP2.82
Rot. Bonds3

About (5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97150140) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is (5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97150140
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name(5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CSC12CC3CC(CC(C3)C1)C2)N1CC[C@]2(CCCNC2=O)C1
InChIInChI=1S/C20H30N2O2S/c23-17(22-5-3-19(13-22)2-1-4-21-18(19)24)12-25-20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,1-13H2,(H,21,24)/t14?,15?,16?,19-,20?/m1/s1
InChIKeyXSKLIWAJQVIEOD-JCFBCRGFSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922471
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896688
2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937627
(5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97125831
3-methyl-1-[2-oxo-2-[(5S)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-4H-quinazolin-2-one
CID 97115698
1-(4-ethoxy-3-methylphenyl)-4-(6-oxo-2,7-diazaspiro[4.5]decan-2-yl)butane-1,4-dione
CID 72867011
6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one
CID 97145463
1-(4-ethoxy-3-methylphenyl)-4-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]butane-1,4-dione
CID 97122224
2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72896595
2-[1-(4-methylphenyl)cyclopropanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72879316
9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98895826
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97150140) is (5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(CSC12CC3CC(CC(C3)C1)C2)N1CC[C@]2(CCCNC2=O)C1.
What is the InChIKey of (5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XSKLIWAJQVIEOD-JCFBCRGFSA-N. The full InChI is InChI=1S/C20H30N2O2S/c23-17(22-5-3-19(13-22)2-1-4-21-18(19)24)12-25-20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,1-13H2,(H,21,24)/t14?,15?,16?,19-,20?/m1/s1.
What are the key properties of (5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 362.54 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[2-(1-adamantylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97150140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).