ethane;5-methyl-2-thia-5-azaspiro[3.4]octane

C9H19NS — CID 178087050

IUPACethane;5-methyl-2-thia-5-azaspiro[3.4]octane
SMILESCC.CN1CCCC12CSC2
InChIInChI=1S/C7H13NS.C2H6/c1-8-4-2-3-7(8)5-9-6-7;1-2/h2-6H2,1H3;1-2H3
InChIKeyRMPUZMWELLIUJM-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds

About ethane;5-methyl-2-thia-5-azaspiro[3.4]octane

ethane;5-methyl-2-thia-5-azaspiro[3.4]octane (PubChem CID 178087050) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is ethane;5-methyl-2-thia-5-azaspiro[3.4]octane.

Molecular Properties

Compound Nameethane;5-methyl-2-thia-5-azaspiro[3.4]octane
PubChem CID178087050
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Nameethane;5-methyl-2-thia-5-azaspiro[3.4]octane
SMILESCC.CN1CCCC12CSC2
InChIInChI=1S/C7H13NS.C2H6/c1-8-4-2-3-7(8)5-9-6-7;1-2/h2-6H2,1H3;1-2H3
InChIKeyRMPUZMWELLIUJM-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Ethyl-2-methylthietan-3-yl)pyrrolidine
CID 134881531
1-(2-Ethyl-3-propylthietan-3-yl)pyrrolidine
CID 134895523
4-Methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine
CID 58778463
4-(Methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778938
(2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 59611331
2-(2,2-Dimethylpyrrolidin-1-yl)ethanethiol
CID 59974824
(2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine
CID 67522586
4-Methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine
CID 89385788
(2R)-1,2-dimethyl-4-(methylsulfanylmethyl)pyrrolidine
CID 89595642
(2S)-4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine
CID 89934397
1-Ethyl-2-methyl-4-(methylsulfanylmethyl)pyrrolidine
CID 91294419
1-(2,2-Dimethylpyrrolidin-1-yl)ethanethiol
CID 123696056

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-thia-5-azaspiro[3.4]octane?
The IUPAC name of ethane;5-methyl-2-thia-5-azaspiro[3.4]octane (CID 178087050) is ethane;5-methyl-2-thia-5-azaspiro[3.4]octane.
What is the SMILES notation for ethane;5-methyl-2-thia-5-azaspiro[3.4]octane?
The canonical SMILES for ethane;5-methyl-2-thia-5-azaspiro[3.4]octane is CC.CN1CCCC12CSC2.
What is the InChIKey of ethane;5-methyl-2-thia-5-azaspiro[3.4]octane?
The InChIKey is RMPUZMWELLIUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS.C2H6/c1-8-4-2-3-7(8)5-9-6-7;1-2/h2-6H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2-thia-5-azaspiro[3.4]octane?
ethane;5-methyl-2-thia-5-azaspiro[3.4]octane has a molecular weight of 173.32 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-thia-5-azaspiro[3.4]octane is sourced from PubChem (CID 178087050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).