4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine

C10H17N3OS — CID 105156646

IUPAC4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)c1cnsn1
InChIInChI=1S/C10H17N3OS/c11-9(10-7-12-15-13-10)5-1-3-8-4-2-6-14-8/h7-9H,1-6,11H2
InChIKeyKNHHHFPNMPJYRM-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.89
Rot. Bonds5

About 4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine

4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine (PubChem CID 105156646) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
PubChem CID105156646
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)c1cnsn1
InChIInChI=1S/C10H17N3OS/c11-9(10-7-12-15-13-10)5-1-3-8-4-2-6-14-8/h7-9H,1-6,11H2
InChIKeyKNHHHFPNMPJYRM-UHFFFAOYSA-N
XLogP1.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-2-yl)-N-propyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105156903
1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 113329530
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 65164817
1-(3-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 82895309
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140
4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-amine
CID 105156665
1-(5-bromofuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993311
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129
1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine
CID 105156525
1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993263

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
The IUPAC name of 4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine (CID 105156646) is 4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
The canonical SMILES for 4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine is NC(CCCC1CCCO1)c1cnsn1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
The InChIKey is KNHHHFPNMPJYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c11-9(10-7-12-15-13-10)5-1-3-8-4-2-6-14-8/h7-9H,1-6,11H2.
What are the key properties of 4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine is sourced from PubChem (CID 105156646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).