4-methyl-1-thia-8-azaspiro[4.5]decane

C9H17NS — CID 91551256

IUPAC4-methyl-1-thia-8-azaspiro[4.5]decane
SMILESCC1CCSC12CCNCC2
InChIInChI=1S/C9H17NS/c1-8-2-7-11-9(8)3-5-10-6-4-9/h8,10H,2-7H2,1H3
InChIKeyKYOCSLAVLDBBTE-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.88
Rot. Bonds

About 4-methyl-1-thia-8-azaspiro[4.5]decane

4-methyl-1-thia-8-azaspiro[4.5]decane (PubChem CID 91551256) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-methyl-1-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-methyl-1-thia-8-azaspiro[4.5]decane
PubChem CID91551256
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-methyl-1-thia-8-azaspiro[4.5]decane
SMILESCC1CCSC12CCNCC2
InChIInChI=1S/C9H17NS/c1-8-2-7-11-9(8)3-5-10-6-4-9/h8,10H,2-7H2,1H3
InChIKeyKYOCSLAVLDBBTE-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
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2-Cyclohexyl-5-methyl-1,3-thiazolidine
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4-((Ethylsulfanyl)methyl)piperidine hydrochloride
CID 72716513
4-[(Ethylsulfanyl)methyl]piperidine
CID 61683930
2-(1-Methylbutyl)-1,3-thiazinane
CID 3061408
4-(Difluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306123
4-(Fluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306178
3-Fluoro-3-(thian-4-yl)pyrrolidine
CID 83817907
4-Fluoro-4-(thian-4-yl)piperidine
CID 83819654
3-Fluoro-3-(thian-4-yl)piperidine
CID 83819655
4-[1-(2-Fluoroethylsulfanyl)ethyl]piperidine
CID 84020068
3-Fluoro-4-(thian-4-yl)piperidine
CID 105426907

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-thia-8-azaspiro[4.5]decane?
The IUPAC name of 4-methyl-1-thia-8-azaspiro[4.5]decane (CID 91551256) is 4-methyl-1-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 4-methyl-1-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 4-methyl-1-thia-8-azaspiro[4.5]decane is CC1CCSC12CCNCC2.
What is the InChIKey of 4-methyl-1-thia-8-azaspiro[4.5]decane?
The InChIKey is KYOCSLAVLDBBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8-2-7-11-9(8)3-5-10-6-4-9/h8,10H,2-7H2,1H3.
What are the key properties of 4-methyl-1-thia-8-azaspiro[4.5]decane?
4-methyl-1-thia-8-azaspiro[4.5]decane has a molecular weight of 171.31 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 91551256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).