3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine

C15H29NO2S — CID 103028621

IUPAC3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCNC(CC(C)(C)OC)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H29NO2S/c1-14(2,17-4)10-13(16-3)12-5-7-18-15(9-12)6-8-19-11-15/h12-13,16H,5-11H2,1-4H3
InChIKeyQPLKHFPNJJZWEC-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.69
Rot. Bonds5

About 3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine

3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine (PubChem CID 103028621) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
PubChem CID103028621
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCNC(CC(C)(C)OC)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H29NO2S/c1-14(2,17-4)10-13(16-3)12-5-7-18-15(9-12)6-8-19-11-15/h12-13,16H,5-11H2,1-4H3
InChIKeyQPLKHFPNJJZWEC-UHFFFAOYSA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine (CID 103028621) is 3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine is CNC(CC(C)(C)OC)C1CCOC2(CCSC2)C1.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine?
The InChIKey is QPLKHFPNJJZWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-14(2,17-4)10-13(16-3)12-5-7-18-15(9-12)6-8-19-11-15/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine?
3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine is sourced from PubChem (CID 103028621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).