2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine

C11H18N2S — CID 130681605

IUPAC2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine
SMILESC=C[C@H](N)c1sc(C(C)(C)C)cc1N
InChIInChI=1S/C11H18N2S/c1-5-7(12)10-8(13)6-9(14-10)11(2,3)4/h5-7H,1,12-13H2,2-4H3/t7-/m0/s1
InChIKeyFBFLHXURQCCWGQ-ZETCQYMHSA-N
MW210.35 g/mol
LogP2.81
Rot. Bonds2

About 2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine

2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine (PubChem CID 130681605) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine.

Molecular Properties

Compound Name2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine
PubChem CID130681605
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine
SMILESC=C[C@H](N)c1sc(C(C)(C)C)cc1N
InChIInChI=1S/C11H18N2S/c1-5-7(12)10-8(13)6-9(14-10)11(2,3)4/h5-7H,1,12-13H2,2-4H3/t7-/m0/s1
InChIKeyFBFLHXURQCCWGQ-ZETCQYMHSA-N
XLogP2.81
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine?
The IUPAC name of 2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine (CID 130681605) is 2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine.
What is the SMILES notation for 2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine?
The canonical SMILES for 2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine is C=C[C@H](N)c1sc(C(C)(C)C)cc1N.
What is the InChIKey of 2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine?
The InChIKey is FBFLHXURQCCWGQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N2S/c1-5-7(12)10-8(13)6-9(14-10)11(2,3)4/h5-7H,1,12-13H2,2-4H3/t7-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine?
2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine has a molecular weight of 210.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoprop-2-enyl]-5-tert-butylthiophen-3-amine is sourced from PubChem (CID 130681605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).