N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine

C10H17N3OS — CID 105147184

IUPACN-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cnns1)C1CCOCC1
InChIInChI=1S/C10H17N3OS/c1-2-11-10(9-7-12-13-15-9)8-3-5-14-6-4-8/h7-8,10-11H,2-6H2,1H3
InChIKeyXXWREKZWZQXLIG-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.62
Rot. Bonds4

About N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine

N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine (PubChem CID 105147184) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine
PubChem CID105147184
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cnns1)C1CCOCC1
InChIInChI=1S/C10H17N3OS/c1-2-11-10(9-7-12-13-15-9)8-3-5-14-6-4-8/h7-8,10-11H,2-6H2,1H3
InChIKeyXXWREKZWZQXLIG-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105081235
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170342
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(oxan-4-yl)methyl]ethanamine
CID 115856026
1-cycloheptyl-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105176444
N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
CID 66272084
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170732
N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105169854
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105154526
N-[(5-bromothiophen-3-yl)-(oxan-4-yl)methyl]ethanamine
CID 105147150
5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine
CID 65334338
N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105147199

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine (CID 105147184) is N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine is CCNC(c1cnns1)C1CCOCC1.
What is the InChIKey of N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine?
The InChIKey is XXWREKZWZQXLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-11-10(9-7-12-13-15-9)8-3-5-14-6-4-8/h7-8,10-11H,2-6H2,1H3.
What are the key properties of N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine?
N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105147184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).