3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol

C8H15N3O2S — CID 104842263

IUPAC3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol
SMILESCCC(N)C(CO)Sc1nnc(C)o1
InChIInChI=1S/C8H15N3O2S/c1-3-6(9)7(4-12)14-8-11-10-5(2)13-8/h6-7,12H,3-4,9H2,1-2H3
InChIKeyHIUNGFXDQYRZSR-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.57
Rot. Bonds5

About 3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol

3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol (PubChem CID 104842263) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol
PubChem CID104842263
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol
SMILESCCC(N)C(CO)Sc1nnc(C)o1
InChIInChI=1S/C8H15N3O2S/c1-3-6(9)7(4-12)14-8-11-10-5(2)13-8/h6-7,12H,3-4,9H2,1-2H3
InChIKeyHIUNGFXDQYRZSR-UHFFFAOYSA-N
XLogP0.57
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine
CID 64633095
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol
CID 126976025
3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 104842295
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine
CID 64632499
3-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanylpentan-1-ol
CID 104842276
(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 104889207
3-amino-2-pyridin-2-ylsulfanylpentan-1-ol
CID 104842239
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
CID 62255415
(1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 103959551
N'-hydroxy-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanimidamide
CID 76937871
2-amino-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
CID 63033819
3-(3-amino-1-hydroxypentan-2-yl)sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 114001276

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol?
The IUPAC name of 3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol (CID 104842263) is 3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol.
What is the SMILES notation for 3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol?
The canonical SMILES for 3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol is CCC(N)C(CO)Sc1nnc(C)o1.
What is the InChIKey of 3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol?
The InChIKey is HIUNGFXDQYRZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-6(9)7(4-12)14-8-11-10-5(2)13-8/h6-7,12H,3-4,9H2,1-2H3.
What are the key properties of 3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol?
3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol has a molecular weight of 217.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol is sourced from PubChem (CID 104842263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).