N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine

C14H25N3OS — CID 105189225

IUPACN-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H25N3OS/c1-6-7-15-12(11-9-16-17-19-11)10-8-13(2,3)18-14(10,4)5/h9-10,12,15H,6-8H2,1-5H3
InChIKeyUJKNCAKQKGXDFH-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.17
Rot. Bonds5

About N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine

N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105189225) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105189225
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H25N3OS/c1-6-7-15-12(11-9-16-17-19-11)10-8-13(2,3)18-14(10,4)5/h9-10,12,15H,6-8H2,1-5H3
InChIKeyUJKNCAKQKGXDFH-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethylthiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105052858
N-[(4,5-dimethylthiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105052718
N-[(5-methylpyrazin-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105189181
N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622846
N-[(4-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622827
N-[(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 107977782
N-[(2-bromofuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 106858824
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-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105154526
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170342
N-[(3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622794

Frequently Asked Questions

What is the IUPAC name of N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine (CID 105189225) is N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cnns1)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is UJKNCAKQKGXDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-6-7-15-12(11-9-16-17-19-11)10-8-13(2,3)18-14(10,4)5/h9-10,12,15H,6-8H2,1-5H3.
What are the key properties of N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105189225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).