7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane

C9H17NS — CID 163390240

IUPAC7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane
SMILESCCC1CSC2(C1)CN(C)C2
InChIInChI=1S/C9H17NS/c1-3-8-4-9(11-5-8)6-10(2)7-9/h8H,3-7H2,1-2H3
InChIKeyHURUCTUVSJESBN-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.83
Rot. Bonds1

About 7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane

7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane (PubChem CID 163390240) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane
PubChem CID163390240
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane
SMILESCCC1CSC2(C1)CN(C)C2
InChIInChI=1S/C9H17NS/c1-3-8-4-9(11-5-8)6-10(2)7-9/h8H,3-7H2,1-2H3
InChIKeyHURUCTUVSJESBN-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine
CID 118445226
N-[(3,4-dimethylthiolan-2-yl)methyl]-N-methylethanamine
CID 132149841
2,8-Dimethyl-5-thia-2-azaspiro[3.4]octane
CID 156555470
2-Methyl-7-propan-2-yl-5-thia-2-azaspiro[3.4]octane
CID 163390182
2,7-Dimethyl-5-thia-2-azaspiro[3.4]octane
CID 163390289
3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine
CID 166647314
1-Methyl-3-(3-methylsulfanylpropyl)azetidine
CID 166688597
(8R)-2,8-dimethyl-5-thia-2-azaspiro[3.4]octane
CID 168135538
2-Butyl-5-thia-2-azaspiro[3.4]octane;ethane
CID 176925367
1-(3-Ethylsulfanylpropyl)-3-propylpyrrolidine
CID 103715167
1-(2-Ethylsulfanylethyl)-3-propylpyrrolidine
CID 103715168
2-Propan-2-yl-1-(thiolan-3-ylmethyl)azetidine
CID 128129447

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane (CID 163390240) is 7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane is CCC1CSC2(C1)CN(C)C2.
What is the InChIKey of 7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane?
The InChIKey is HURUCTUVSJESBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-8-4-9(11-5-8)6-10(2)7-9/h8H,3-7H2,1-2H3.
What are the key properties of 7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane?
7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane has a molecular weight of 171.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 163390240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).