(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride

C8H14ClN3OS — CID 44667546

IUPAC(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
SMILESC=C(C)CSc1nnc([C@H](C)N)o1.Cl
InChIInChI=1S/C8H13N3OS.ClH/c1-5(2)4-13-8-11-10-7(12-8)6(3)9;/h6H,1,4,9H2,2-3H3;1H/t6-;/m0./s1
InChIKeyWKEBCFKTADOJFL-RGMNGODLSA-N
MW235.74 g/mol
LogP2.18
Rot. Bonds4

About (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride

(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride (PubChem CID 44667546) has the molecular formula C8H14ClN3OS and a molecular weight of 235.74 g/mol. Its IUPAC name is (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
PubChem CID44667546
Molecular FormulaC8H14ClN3OS
Molecular Weight235.74 g/mol
Exact Mass235.05
IUPAC Name(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
SMILESC=C(C)CSc1nnc([C@H](C)N)o1.Cl
InChIInChI=1S/C8H13N3OS.ClH/c1-5(2)4-13-8-11-10-7(12-8)6(3)9;/h6H,1,4,9H2,2-3H3;1H/t6-;/m0./s1
InChIKeyWKEBCFKTADOJFL-RGMNGODLSA-N
XLogP2.18
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-((S)-1-Amino-ethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 16745845
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride
CID 53351358
(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 931660
(1S)-1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 931907
2-[5-(2-Methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 933648
[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 1997629
(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 1997630
1-(5-Butylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 3476608
3-Methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]butan-1-amine
CID 3481628
2-Methyl-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 3520632
1-[5-(3-Methylbut-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 3666393
1-(5-Ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 3779105

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride (CID 44667546) is (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride is C=C(C)CSc1nnc([C@H](C)N)o1.Cl.
What is the InChIKey of (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is WKEBCFKTADOJFL-RGMNGODLSA-N. The full InChI is InChI=1S/C8H13N3OS.ClH/c1-5(2)4-13-8-11-10-7(12-8)6(3)9;/h6H,1,4,9H2,2-3H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
(1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride has a molecular weight of 235.74 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 44667546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).