11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane

C16H30N2S — CID 80612307

IUPAC11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
SMILESC1CCC2(CC1)CN(CC1CCCCS1)CCCN2
InChIInChI=1S/C16H30N2S/c1-3-8-16(9-4-1)14-18(11-6-10-17-16)13-15-7-2-5-12-19-15/h15,17H,1-14H2
InChIKeyASELTNAYTNADDR-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.27
Rot. Bonds2

About 11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane

11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane (PubChem CID 80612307) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
PubChem CID80612307
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
SMILESC1CCC2(CC1)CN(CC1CCCCS1)CCCN2
InChIInChI=1S/C16H30N2S/c1-3-8-16(9-4-1)14-18(11-6-10-17-16)13-15-7-2-5-12-19-15/h15,17H,1-14H2
InChIKeyASELTNAYTNADDR-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane (CID 80612307) is 11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane is C1CCC2(CC1)CN(CC1CCCCS1)CCCN2.
What is the InChIKey of 11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane?
The InChIKey is ASELTNAYTNADDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-3-8-16(9-4-1)14-18(11-6-10-17-16)13-15-7-2-5-12-19-15/h15,17H,1-14H2.
What are the key properties of 11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane?
11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane has a molecular weight of 282.50 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 80612307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).