N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine

C10H15NOS — CID 56607379

IUPACN-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine
SMILESC=C(NOC(C)(C)C)c1cccs1
InChIInChI=1S/C10H15NOS/c1-8(9-6-5-7-13-9)11-12-10(2,3)4/h5-7,11H,1H2,2-4H3
InChIKeyRTBRNXRBGWRVFS-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.04
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine

N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine (PubChem CID 56607379) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine
PubChem CID56607379
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine
SMILESC=C(NOC(C)(C)C)c1cccs1
InChIInChI=1S/C10H15NOS/c1-8(9-6-5-7-13-9)11-12-10(2,3)4/h5-7,11H,1H2,2-4H3
InChIKeyRTBRNXRBGWRVFS-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine (CID 56607379) is N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine is C=C(NOC(C)(C)C)c1cccs1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine?
The InChIKey is RTBRNXRBGWRVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8(9-6-5-7-13-9)11-12-10(2,3)4/h5-7,11H,1H2,2-4H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine?
N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine has a molecular weight of 197.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine is sourced from PubChem (CID 56607379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).