1-thia-4-azaspiro[5.5]undecane

C9H17NS — CID 58300401

IUPAC1-thia-4-azaspiro[5.5]undecane
SMILESC1CCC2(CC1)CNCCS2
InChIInChI=1S/C9H17NS/c1-2-4-9(5-3-1)8-10-6-7-11-9/h10H,1-8H2
InChIKeyUXMJMQZMIIBTSI-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.03
Rot. Bonds

About 1-thia-4-azaspiro[5.5]undecane

1-thia-4-azaspiro[5.5]undecane (PubChem CID 58300401) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-thia-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name1-thia-4-azaspiro[5.5]undecane
PubChem CID58300401
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name1-thia-4-azaspiro[5.5]undecane
SMILESC1CCC2(CC1)CNCCS2
InChIInChI=1S/C9H17NS/c1-2-4-9(5-3-1)8-10-6-7-11-9/h10H,1-8H2
InChIKeyUXMJMQZMIIBTSI-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Thia-4-azaspiro[5.5]undecane, 1,1-dioxide
CID 71755714
9-Thia-2-azaspiro(5.5)undecane
CID 64221435
4-[(Ethylsulfanyl)methyl]piperidine
CID 61683930
5-[2-(4-Fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
CID 140640625
4-Fluoro-4-(thian-4-yl)piperidine
CID 83819654
3-Fluoro-3-(thian-4-yl)piperidine
CID 83819655
3-Fluoro-4-(thian-4-yl)piperidine
CID 105426907
1-(3,3-difluorocyclohexyl)-N-(thian-2-ylmethyl)methanamine
CID 114223870
4-Fluoro-9-thia-1-azaspiro[5.5]undecane
CID 115017931
5-Fluoro-9-thia-1-azaspiro[5.5]undecane
CID 115017932
3-Fluoro-4-(thian-3-yl)piperidine
CID 115023175
4-Fluoro-3-(thian-3-yl)piperidine
CID 115023178

Frequently Asked Questions

What is the IUPAC name of 1-thia-4-azaspiro[5.5]undecane?
The IUPAC name of 1-thia-4-azaspiro[5.5]undecane (CID 58300401) is 1-thia-4-azaspiro[5.5]undecane.
What is the SMILES notation for 1-thia-4-azaspiro[5.5]undecane?
The canonical SMILES for 1-thia-4-azaspiro[5.5]undecane is C1CCC2(CC1)CNCCS2.
What is the InChIKey of 1-thia-4-azaspiro[5.5]undecane?
The InChIKey is UXMJMQZMIIBTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-4-9(5-3-1)8-10-6-7-11-9/h10H,1-8H2.
What are the key properties of 1-thia-4-azaspiro[5.5]undecane?
1-thia-4-azaspiro[5.5]undecane has a molecular weight of 171.31 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-4-azaspiro[5.5]undecane is sourced from PubChem (CID 58300401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).