3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane

C13H25NOS — CID 58547564

IUPAC3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane
SMILESCSCC1CC2(CCN(C(C)C)CC2)CO1
InChIInChI=1S/C13H25NOS/c1-11(2)14-6-4-13(5-7-14)8-12(9-16-3)15-10-13/h11-12H,4-10H2,1-3H3
InChIKeyKYWANWUWVANNGW-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.63
Rot. Bonds3

About 3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane

3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 58547564) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane
PubChem CID58547564
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane
SMILESCSCC1CC2(CCN(C(C)C)CC2)CO1
InChIInChI=1S/C13H25NOS/c1-11(2)14-6-4-13(5-7-14)8-12(9-16-3)15-10-13/h11-12H,4-10H2,1-3H3
InChIKeyKYWANWUWVANNGW-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane (CID 58547564) is 3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane is CSCC1CC2(CCN(C(C)C)CC2)CO1.
What is the InChIKey of 3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is KYWANWUWVANNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-11(2)14-6-4-13(5-7-14)8-12(9-16-3)15-10-13/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane?
3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 243.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 58547564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).