N-prop-2-enylthiolan-3-amine

C7H13NS — CID 43177042

IUPACN-prop-2-enylthiolan-3-amine
SMILESC=CCNC1CCSC1
InChIInChI=1S/C7H13NS/c1-2-4-8-7-3-5-9-6-7/h2,7-8H,1,3-6H2
InChIKeyPUZQTBGXHZBOFN-UHFFFAOYSA-N
MW143.26 g/mol
LogP1.27
Rot. Bonds3

About N-prop-2-enylthiolan-3-amine

N-prop-2-enylthiolan-3-amine (PubChem CID 43177042) has the molecular formula C7H13NS and a molecular weight of 143.26 g/mol. Its IUPAC name is N-prop-2-enylthiolan-3-amine.

Molecular Properties

Compound NameN-prop-2-enylthiolan-3-amine
PubChem CID43177042
Molecular FormulaC7H13NS
Molecular Weight143.26 g/mol
Exact Mass143.08
IUPAC NameN-prop-2-enylthiolan-3-amine
SMILESC=CCNC1CCSC1
InChIInChI=1S/C7H13NS/c1-2-4-8-7-3-5-9-6-7/h2,7-8H,1,3-6H2
InChIKeyPUZQTBGXHZBOFN-UHFFFAOYSA-N
XLogP1.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.26
LogP ≤ 51.27
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-enylthiolan-3-amine?
The IUPAC name of N-prop-2-enylthiolan-3-amine (CID 43177042) is N-prop-2-enylthiolan-3-amine.
What is the SMILES notation for N-prop-2-enylthiolan-3-amine?
The canonical SMILES for N-prop-2-enylthiolan-3-amine is C=CCNC1CCSC1.
What is the InChIKey of N-prop-2-enylthiolan-3-amine?
The InChIKey is PUZQTBGXHZBOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-4-8-7-3-5-9-6-7/h2,7-8H,1,3-6H2.
What are the key properties of N-prop-2-enylthiolan-3-amine?
N-prop-2-enylthiolan-3-amine has a molecular weight of 143.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylthiolan-3-amine is sourced from PubChem (CID 43177042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).