6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol

C9H15NOS — CID 142603340

IUPAC6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol
SMILESC=CC1=C(S)CCOC1(C)CN
InChIInChI=1S/C9H15NOS/c1-3-7-8(12)4-5-11-9(7,2)6-10/h3,12H,1,4-6,10H2,2H3
InChIKeyBFYRGXVFJMOFRW-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.49
Rot. Bonds2

About 6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol

6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol (PubChem CID 142603340) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol.

Molecular Properties

Compound Name6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol
PubChem CID142603340
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol
SMILESC=CC1=C(S)CCOC1(C)CN
InChIInChI=1S/C9H15NOS/c1-3-7-8(12)4-5-11-9(7,2)6-10/h3,12H,1,4-6,10H2,2H3
InChIKeyBFYRGXVFJMOFRW-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol 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

(2R)-2-ethenyl-2-methyl-3-methylideneoxolane
CID 163379901
(E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine
CID 166966843
4-ethylidene-2,2-dimethyl-1,3-dioxane
CID 139911290
1,2-bis(ethenyl)-3,3-dimethylcyclopentene;ethane
CID 144553688
3-(aminomethyl)-3-methyloxolan-2-one
CID 90431319
2-ethenyl-1,1,3-trimethyl-5,6-dihydroindene
CID 144766027
8-ethenyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 10261708
7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane
CID 177037789
2-methyl-2-(3-oxobutyl)oxolan-3-one
CID 130037810
2,3-bis(ethenyl)-1-methylcyclopent-2-ene-1-carboxamide
CID 143603798
(6,6-dimethyl-2,3-dihydropyran-4-yl)boronic acid
CID 154704283
CID 153398802
CID 153398802

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol?
The IUPAC name of 6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol (CID 142603340) is 6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol.
What is the SMILES notation for 6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol?
The canonical SMILES for 6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol is C=CC1=C(S)CCOC1(C)CN.
What is the InChIKey of 6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol?
The InChIKey is BFYRGXVFJMOFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-3-7-8(12)4-5-11-9(7,2)6-10/h3,12H,1,4-6,10H2,2H3.
What are the key properties of 6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol?
6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol has a molecular weight of 185.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol is sourced from PubChem (CID 142603340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).