3-tert-butyl-2-thia-7-azaspiro[4.4]nonane

C11H21NS — CID 171409105

IUPAC3-tert-butyl-2-thia-7-azaspiro[4.4]nonane
SMILESCC(C)(C)C1CC2(CCNC2)CS1
InChIInChI=1S/C11H21NS/c1-10(2,3)9-6-11(8-13-9)4-5-12-7-11/h9,12H,4-8H2,1-3H3
InChIKeyAWMPVUFZKMQSLQ-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.52
Rot. Bonds

About 3-tert-butyl-2-thia-7-azaspiro[4.4]nonane

3-tert-butyl-2-thia-7-azaspiro[4.4]nonane (PubChem CID 171409105) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-tert-butyl-2-thia-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3-tert-butyl-2-thia-7-azaspiro[4.4]nonane
PubChem CID171409105
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-tert-butyl-2-thia-7-azaspiro[4.4]nonane
SMILESCC(C)(C)C1CC2(CCNC2)CS1
InChIInChI=1S/C11H21NS/c1-10(2,3)9-6-11(8-13-9)4-5-12-7-11/h9,12H,4-8H2,1-3H3
InChIKeyAWMPVUFZKMQSLQ-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-diazaspiro[4.5]decane;ethane
CID 143048064
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane
CID 134228301
2,7-diazaspiro[3.4]octane;propane
CID 177136819
(5R)-2-thia-7-azaspiro[4.4]nonane
CID 94411770
2-thia-3,7-diazaspiro[4.4]nonane
CID 23135390
8-thia-3,11-diazaspiro[5.6]dodecane
CID 23135364
(5R,8S)-2-azaspiro[4.4]nonan-8-amine
CID 97168804
2-azaspiro[4.4]nonan-8-amine
CID 71649078
(6R)-6-tert-butyl-2-azaspiro[3.4]octane
CID 171594496
7-thia-2-azaspiro[4.5]decane
CID 62873332

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-thia-7-azaspiro[4.4]nonane?
The IUPAC name of 3-tert-butyl-2-thia-7-azaspiro[4.4]nonane (CID 171409105) is 3-tert-butyl-2-thia-7-azaspiro[4.4]nonane.
What is the SMILES notation for 3-tert-butyl-2-thia-7-azaspiro[4.4]nonane?
The canonical SMILES for 3-tert-butyl-2-thia-7-azaspiro[4.4]nonane is CC(C)(C)C1CC2(CCNC2)CS1.
What is the InChIKey of 3-tert-butyl-2-thia-7-azaspiro[4.4]nonane?
The InChIKey is AWMPVUFZKMQSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-10(2,3)9-6-11(8-13-9)4-5-12-7-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 3-tert-butyl-2-thia-7-azaspiro[4.4]nonane?
3-tert-butyl-2-thia-7-azaspiro[4.4]nonane has a molecular weight of 199.36 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-thia-7-azaspiro[4.4]nonane is sourced from PubChem (CID 171409105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).