4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane

C13H28N2OS — CID 143985227

IUPAC4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane
SMILESCC.CC.CN1CCCC2(C1)SC(=O)CN2C
InChIInChI=1S/C9H16N2OS.2C2H6/c1-10-5-3-4-9(7-10)11(2)6-8(12)13-9;2*1-2/h3-7H2,1-2H3;2*1-2H3
InChIKeySCKMWZADIVLDLG-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.67
Rot. Bonds

About 4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane

4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane (PubChem CID 143985227) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane.

Molecular Properties

Compound Name4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane
PubChem CID143985227
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane
SMILESCC.CC.CN1CCCC2(C1)SC(=O)CN2C
InChIInChI=1S/C9H16N2OS.2C2H6/c1-10-5-3-4-9(7-10)11(2)6-8(12)13-9;2*1-2/h3-7H2,1-2H3;2*1-2H3
InChIKeySCKMWZADIVLDLG-UHFFFAOYSA-N
XLogP2.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,8-dimethyl-1,8-diazaspiro[3.5]nonane;ethane
CID 156736334
3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
(4R)-6-methyl-6-azaspiro[3.5]nonan-3-one
CID 129450959
7-methyl-7-azaspiro[4.5]decan-4-one;hydrochloride
CID 121207632
8-methyl-1,8-diazaspiro[3.5]nonan-2-one
CID 169184407
(5S)-2,7-dimethyl-2,7-diazaspiro[4.5]decan-6-one;ethane;methane
CID 161052527
4,8-ditert-butyl-1-thia-4,8-diazaspiro[4.5]decan-2-one
CID 58245127
3-methoxy-1-methylpiperidine-3-carbaldehyde
CID 105430672
2-methyl-2,8-diazaspiro[5.5]undecan-11-one
CID 82407628
9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen
CID 177033435
ethane;8-methyl-2,8-diazaspiro[3.5]nonan-2-amine
CID 169133295
ethane;1-methylpiperidin-3-one
CID 91265632

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane?
The IUPAC name of 4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane (CID 143985227) is 4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane.
What is the SMILES notation for 4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane?
The canonical SMILES for 4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane is CC.CC.CN1CCCC2(C1)SC(=O)CN2C.
What is the InChIKey of 4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane?
The InChIKey is SCKMWZADIVLDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS.2C2H6/c1-10-5-3-4-9(7-10)11(2)6-8(12)13-9;2*1-2/h3-7H2,1-2H3;2*1-2H3.
What are the key properties of 4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane?
4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane has a molecular weight of 260.45 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-1-thia-4,9-diazaspiro[4.5]decan-2-one;ethane is sourced from PubChem (CID 143985227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).