4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide

C14H26N2OS — CID 113480590

IUPAC4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide
SMILESCC1CNC2(CCCC2)CN1C1CCS(=O)CC1
InChIInChI=1S/C14H26N2OS/c1-12-10-15-14(6-2-3-7-14)11-16(12)13-4-8-18(17)9-5-13/h12-13,15H,2-11H2,1H3
InChIKeyMMBLSGMNTBCCIN-UHFFFAOYSA-N
MW270.44 g/mol
LogP1.50
Rot. Bonds1

About 4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide

4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide (PubChem CID 113480590) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide.

Molecular Properties

Compound Name4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide
PubChem CID113480590
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide
SMILESCC1CNC2(CCCC2)CN1C1CCS(=O)CC1
InChIInChI=1S/C14H26N2OS/c1-12-10-15-14(6-2-3-7-14)11-16(12)13-4-8-18(17)9-5-13/h12-13,15H,2-11H2,1H3
InChIKeyMMBLSGMNTBCCIN-UHFFFAOYSA-N
XLogP1.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(2,2,3,3-tetramethylcyclopropyl)-1,4-diazaspiro[5.5]undecane
CID 79350283
4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934612
8-methyl-9-(1-methylcyclopentyl)-6,9-diazaspiro[4.5]decane
CID 64939572
8-methyl-9-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,9-diazaspiro[4.5]decane
CID 64940112
9-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877161
9-(1-cyclopropylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64934634
4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide
CID 64933302
8-methyl-9-(3-methylpentan-3-yl)-6,9-diazaspiro[4.5]decane
CID 114174386
1-cyclobutyl-5,5-diethyl-2-methylpiperazine
CID 64948334
3-methyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64877989
8-ethyl-9-(1-propylpiperidin-4-yl)-6,9-diazaspiro[4.5]decane
CID 64946301
8-ethyl-9-(oxan-4-yl)-6,9-diazaspiro[4.5]decane
CID 64936190

Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide?
The IUPAC name of 4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide (CID 113480590) is 4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide.
What is the SMILES notation for 4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide?
The canonical SMILES for 4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide is CC1CNC2(CCCC2)CN1C1CCS(=O)CC1.
What is the InChIKey of 4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide?
The InChIKey is MMBLSGMNTBCCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-12-10-15-14(6-2-3-7-14)11-16(12)13-4-8-18(17)9-5-13/h12-13,15H,2-11H2,1H3.
What are the key properties of 4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide?
4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide has a molecular weight of 270.44 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)thiane 1-oxide is sourced from PubChem (CID 113480590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).