2-thia-6,10-diazaspiro[4.6]undecane

C8H16N2S — CID 118210096

IUPAC2-thia-6,10-diazaspiro[4.6]undecane
SMILESC1CNCC2(CCSC2)NC1
InChIInChI=1S/C8H16N2S/c1-3-9-6-8(10-4-1)2-5-11-7-8/h9-10H,1-7H2
InChIKeyCWBGUESINRQTSF-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.44
Rot. Bonds

About 2-thia-6,10-diazaspiro[4.6]undecane

2-thia-6,10-diazaspiro[4.6]undecane (PubChem CID 118210096) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-thia-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name2-thia-6,10-diazaspiro[4.6]undecane
PubChem CID118210096
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-thia-6,10-diazaspiro[4.6]undecane
SMILESC1CNCC2(CCSC2)NC1
InChIInChI=1S/C8H16N2S/c1-3-9-6-8(10-4-1)2-5-11-7-8/h9-10H,1-7H2
InChIKeyCWBGUESINRQTSF-UHFFFAOYSA-N
XLogP0.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Thiolan-3-ylmethyl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101643
7-Thia-2,10-diazaspiro[4.6]undecane
CID 23135243
4-Pyrrolidin-3-yl-1,4-thiazepane
CID 62328096
N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
2-Thia-5,8-diazaspiro[3.6]decane
CID 118209626
2-Thia-6,9-diazaspiro[4.6]undecane
CID 118210054
10-Thia-1,7-diazaspiro[4.6]undecane
CID 118210218
10-Thia-2,6-diazaspiro[4.6]undecane
CID 118210381
6-Thia-2,10-diazaspiro[4.6]undecane
CID 118210569
1-Thia-7,10-diazaspiro[4.6]undecane
CID 118210719
2-Thia-7,10-diazaspiro[4.6]undecane
CID 122672037
9-Thia-2,6-diazaspiro[4.6]undecane
CID 122672155

Frequently Asked Questions

What is the IUPAC name of 2-thia-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 2-thia-6,10-diazaspiro[4.6]undecane (CID 118210096) is 2-thia-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 2-thia-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 2-thia-6,10-diazaspiro[4.6]undecane is C1CNCC2(CCSC2)NC1.
What is the InChIKey of 2-thia-6,10-diazaspiro[4.6]undecane?
The InChIKey is CWBGUESINRQTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-3-9-6-8(10-4-1)2-5-11-7-8/h9-10H,1-7H2.
What are the key properties of 2-thia-6,10-diazaspiro[4.6]undecane?
2-thia-6,10-diazaspiro[4.6]undecane has a molecular weight of 172.30 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thia-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118210096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).