N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine

C15H24N2O2S — CID 70710889

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCCc1csc(CNC2CCOC3(CCOCC3)C2)n1
InChIInChI=1S/C15H24N2O2S/c1-2-12-11-20-14(17-12)10-16-13-3-6-19-15(9-13)4-7-18-8-5-15/h11,13,16H,2-10H2,1H3
InChIKeySGBCBTPDNGZVAM-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.52
Rot. Bonds4

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 70710889) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID70710889
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCCc1csc(CNC2CCOC3(CCOCC3)C2)n1
InChIInChI=1S/C15H24N2O2S/c1-2-12-11-20-14(17-12)10-16-13-3-6-19-15(9-13)4-7-18-8-5-15/h11,13,16H,2-10H2,1H3
InChIKeySGBCBTPDNGZVAM-UHFFFAOYSA-N
XLogP2.52
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (CID 70710889) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is CCc1csc(CNC2CCOC3(CCOCC3)C2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is SGBCBTPDNGZVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-12-11-20-14(17-12)10-16-13-3-6-19-15(9-13)4-7-18-8-5-15/h11,13,16H,2-10H2,1H3.
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 296.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 70710889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).