N-prop-2-enylthiophen-3-amine

C7H9NS — CID 55300554

IUPACN-prop-2-enylthiophen-3-amine
SMILESC=CCNc1ccsc1
InChIInChI=1S/C7H9NS/c1-2-4-8-7-3-5-9-6-7/h2-3,5-6,8H,1,4H2
InChIKeyOMHSZIQSBJTUKC-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.35
Rot. Bonds3

About N-prop-2-enylthiophen-3-amine

N-prop-2-enylthiophen-3-amine (PubChem CID 55300554) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is N-prop-2-enylthiophen-3-amine.

Molecular Properties

Compound NameN-prop-2-enylthiophen-3-amine
PubChem CID55300554
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC NameN-prop-2-enylthiophen-3-amine
SMILESC=CCNc1ccsc1
InChIInChI=1S/C7H9NS/c1-2-4-8-7-3-5-9-6-7/h2-3,5-6,8H,1,4H2
InChIKeyOMHSZIQSBJTUKC-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-prop-2-enylthiophen-3-amine?
The IUPAC name of N-prop-2-enylthiophen-3-amine (CID 55300554) is N-prop-2-enylthiophen-3-amine.
What is the SMILES notation for N-prop-2-enylthiophen-3-amine?
The canonical SMILES for N-prop-2-enylthiophen-3-amine is C=CCNc1ccsc1.
What is the InChIKey of N-prop-2-enylthiophen-3-amine?
The InChIKey is OMHSZIQSBJTUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-2-4-8-7-3-5-9-6-7/h2-3,5-6,8H,1,4H2.
What are the key properties of N-prop-2-enylthiophen-3-amine?
N-prop-2-enylthiophen-3-amine has a molecular weight of 139.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylthiophen-3-amine is sourced from PubChem (CID 55300554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).