1-(thiolan-2-yl)prop-2-en-1-amine

C7H13NS — CID 80622808

IUPAC1-(thiolan-2-yl)prop-2-en-1-amine
SMILESC=CC(N)C1CCCS1
InChIInChI=1S/C7H13NS/c1-2-6(8)7-4-3-5-9-7/h2,6-7H,1,3-5,8H2
InChIKeyWNRROLQZZAYZMF-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.40
Rot. Bonds2

About 1-(thiolan-2-yl)prop-2-en-1-amine

1-(thiolan-2-yl)prop-2-en-1-amine (PubChem CID 80622808) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-(thiolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(thiolan-2-yl)prop-2-en-1-amine
PubChem CID80622808
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-(thiolan-2-yl)prop-2-en-1-amine
SMILESC=CC(N)C1CCCS1
InChIInChI=1S/C7H13NS/c1-2-6(8)7-4-3-5-9-7/h2,6-7H,1,3-5,8H2
InChIKeyWNRROLQZZAYZMF-UHFFFAOYSA-N
XLogP1.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.40
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 1-(thiolan-2-yl)prop-2-en-1-amine?
The IUPAC name of 1-(thiolan-2-yl)prop-2-en-1-amine (CID 80622808) is 1-(thiolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(thiolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(thiolan-2-yl)prop-2-en-1-amine is C=CC(N)C1CCCS1.
What is the InChIKey of 1-(thiolan-2-yl)prop-2-en-1-amine?
The InChIKey is WNRROLQZZAYZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-6(8)7-4-3-5-9-7/h2,6-7H,1,3-5,8H2.
What are the key properties of 1-(thiolan-2-yl)prop-2-en-1-amine?
1-(thiolan-2-yl)prop-2-en-1-amine has a molecular weight of 143.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 80622808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).