9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one

C12H22N2OS — CID 170581664

IUPAC9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one
SMILESCN1CCC2(CCN(CCS)CC2)CC1=O
InChIInChI=1S/C12H22N2OS/c1-13-5-2-12(10-11(13)15)3-6-14(7-4-12)8-9-16/h16H,2-10H2,1H3
InChIKeyFKDAJJVKGFLDKM-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.25
Rot. Bonds2

About 9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one

9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one (PubChem CID 170581664) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one.

Molecular Properties

Compound Name9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one
PubChem CID170581664
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one
SMILESCN1CCC2(CCN(CCS)CC2)CC1=O
InChIInChI=1S/C12H22N2OS/c1-13-5-2-12(10-11(13)15)3-6-14(7-4-12)8-9-16/h16H,2-10H2,1H3
InChIKeyFKDAJJVKGFLDKM-UHFFFAOYSA-N
XLogP1.25
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one
CID 145006494
(5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one
CID 177212640
ethane;1,4,4-trimethylpiperidin-2-one
CID 143025002
ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one
CID 144669099
2,8-dimethyl-2,8-diazaspiro[4.5]decan-3-one;2,7-dimethyl-2,7-diazaspiro[3.5]nonan-3-one
CID 160674259
2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755266
7-methyl-2,7-diazaspiro[3.5]nonane-3,6-dione
CID 139382671
ethane;3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3,9-diazaspiro[5.5]undecan-4-one
CID 155702545
3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal
CID 130815700
10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
CID 56720180
2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 175822956
4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
CID 63158919

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one?
The IUPAC name of 9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one (CID 170581664) is 9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one.
What is the SMILES notation for 9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one?
The canonical SMILES for 9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one is CN1CCC2(CCN(CCS)CC2)CC1=O.
What is the InChIKey of 9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one?
The InChIKey is FKDAJJVKGFLDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-13-5-2-12(10-11(13)15)3-6-14(7-4-12)8-9-16/h16H,2-10H2,1H3.
What are the key properties of 9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one?
9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one has a molecular weight of 242.39 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(2-sulfanylethyl)-3,9-diazaspiro[5.5]undecan-10-one is sourced from PubChem (CID 170581664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).