1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one

C20H27N3OS — CID 46846426

IUPAC1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESC[C@H]1SC2(CCN(C)CC2)CN1C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H27N3OS/c1-15-23(14-20(25-15)9-11-22(2)12-10-20)19(24)8-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13,15,21H,7-12,14H2,1-2H3/t15-/m1/s1
InChIKeyXWMHYQATSBWUNT-OAHLLOKOSA-N
MW357.52 g/mol
LogP3.49
Rot. Bonds3

About 1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one

1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 46846426) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID46846426
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESC[C@H]1SC2(CCN(C)CC2)CN1C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H27N3OS/c1-15-23(14-20(25-15)9-11-22(2)12-10-20)19(24)8-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13,15,21H,7-12,14H2,1-2H3/t15-/m1/s1
InChIKeyXWMHYQATSBWUNT-OAHLLOKOSA-N
XLogP3.49
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-6-yl)-3-(1H-indol-3-yl)propan-1-one
CID 142710598
2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane
CID 138565001
(E)-3-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 66993495
1-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97093757
1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 43420925
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
5-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-3-(1H-indol-3-yl)-4-[(1-methylindol-3-yl)methyl]-5-oxopentanal
CID 87530637
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
(3aS,7aR)-2-[3-(1H-indol-3-yl)propanoyl]-5-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 70749812
1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 35017812
1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 79989530

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one (CID 46846426) is 1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one is C[C@H]1SC2(CCN(C)CC2)CN1C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is XWMHYQATSBWUNT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-15-23(14-20(25-15)9-11-22(2)12-10-20)19(24)8-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13,15,21H,7-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one?
1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 357.52 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 46846426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).