3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane

C11H21NS — CID 80500491

IUPAC3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane
SMILESCCC1CSC2(CCCC2(C)C)N1
InChIInChI=1S/C11H21NS/c1-4-9-8-13-11(12-9)7-5-6-10(11,2)3/h9,12H,4-8H2,1-3H3
InChIKeyLZOPCHOIDOLVLB-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.01
Rot. Bonds1

About 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane

3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane (PubChem CID 80500491) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane
PubChem CID80500491
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane
SMILESCCC1CSC2(CCCC2(C)C)N1
InChIInChI=1S/C11H21NS/c1-4-9-8-13-11(12-9)7-5-6-10(11,2)3/h9,12H,4-8H2,1-3H3
InChIKeyLZOPCHOIDOLVLB-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane
CID 130555258
(3S)-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane-3-carboxylic acid
CID 107773916
3-ethyl-1-thia-4,9-diazaspiro[4.5]decane
CID 80500848
4-ethyl-2,2-di(propan-2-yl)-1,3-thiazolidine
CID 126978863
3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane
CID 164646753
3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane
CID 82717464
7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane
CID 130709676
3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane
CID 80500654
3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane
CID 80500818
4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine
CID 114834372
2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine
CID 82972720
4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
CID 83069817

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane?
The IUPAC name of 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane (CID 80500491) is 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane.
What is the SMILES notation for 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane?
The canonical SMILES for 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane is CCC1CSC2(CCCC2(C)C)N1.
What is the InChIKey of 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane?
The InChIKey is LZOPCHOIDOLVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-4-9-8-13-11(12-9)7-5-6-10(11,2)3/h9,12H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane?
3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane has a molecular weight of 199.36 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane is sourced from PubChem (CID 80500491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).