(4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

C15H25N3OS — CID 105169794

IUPAC(4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCCc1nnsc1C(N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H25N3OS/c1-2-12-14(20-18-17-12)13(16)11-6-9-19-15(10-11)7-4-3-5-8-15/h11,13H,2-10,16H2,1H3
InChIKeyUEUKDIMVMDQTFU-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.23
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

(4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 105169794) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID105169794
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name(4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCCc1nnsc1C(N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H25N3OS/c1-2-12-14(20-18-17-12)13(16)11-6-9-19-15(10-11)7-4-3-5-8-15/h11,13H,2-10,16H2,1H3
InChIKeyUEUKDIMVMDQTFU-UHFFFAOYSA-N
XLogP3.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 105112753
1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol
CID 105113872
(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 102812619
(4-methylthiadiazol-5-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105170777
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116217
(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 116763566
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105170205
(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79911940
(4-ethylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106848506
(6-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79915425
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
CID 105116403

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (CID 105169794) is (4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is CCc1nnsc1C(N)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is UEUKDIMVMDQTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-2-12-14(20-18-17-12)13(16)11-6-9-19-15(10-11)7-4-3-5-8-15/h11,13H,2-10,16H2,1H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
(4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 295.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 105169794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).