(1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine

C8H11NS — CID 55274809

IUPAC(1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1sccc1C
InChIInChI=1S/C8H11NS/c1-3-7(9)8-6(2)4-5-10-8/h3-5,7H,1,9H2,2H3/t7-/m1/s1
InChIKeyAPNISKPGAIYMOJ-SSDOTTSWSA-N
MW153.25 g/mol
LogP2.24
Rot. Bonds2

About (1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine

(1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine (PubChem CID 55274809) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine
PubChem CID55274809
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1sccc1C
InChIInChI=1S/C8H11NS/c1-3-7(9)8-6(2)4-5-10-8/h3-5,7H,1,9H2,2H3/t7-/m1/s1
InChIKeyAPNISKPGAIYMOJ-SSDOTTSWSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine
CID 130706324
(1R)-1-(3-chlorothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171203185
(1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171211010
(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171203150
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
(3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43384383
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol
CID 116942474
(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine
CID 107177670

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine (CID 55274809) is (1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine is C=C[C@@H](N)c1sccc1C.
What is the InChIKey of (1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine?
The InChIKey is APNISKPGAIYMOJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-7(9)8-6(2)4-5-10-8/h3-5,7H,1,9H2,2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine?
(1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine has a molecular weight of 153.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 55274809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).