N-prop-2-enylthian-3-amine

C8H15NS — CID 62872866

IUPACN-prop-2-enylthian-3-amine
SMILESC=CCNC1CCCSC1
InChIInChI=1S/C8H15NS/c1-2-5-9-8-4-3-6-10-7-8/h2,8-9H,1,3-7H2
InChIKeyGFZRJIWVGCYOHF-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.66
Rot. Bonds3

About N-prop-2-enylthian-3-amine

N-prop-2-enylthian-3-amine (PubChem CID 62872866) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-prop-2-enylthian-3-amine.

Molecular Properties

Compound NameN-prop-2-enylthian-3-amine
PubChem CID62872866
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-prop-2-enylthian-3-amine
SMILESC=CCNC1CCCSC1
InChIInChI=1S/C8H15NS/c1-2-5-9-8-4-3-6-10-7-8/h2,8-9H,1,3-7H2
InChIKeyGFZRJIWVGCYOHF-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.66
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-enylthian-3-amine?
The IUPAC name of N-prop-2-enylthian-3-amine (CID 62872866) is N-prop-2-enylthian-3-amine.
What is the SMILES notation for N-prop-2-enylthian-3-amine?
The canonical SMILES for N-prop-2-enylthian-3-amine is C=CCNC1CCCSC1.
What is the InChIKey of N-prop-2-enylthian-3-amine?
The InChIKey is GFZRJIWVGCYOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-5-9-8-4-3-6-10-7-8/h2,8-9H,1,3-7H2.
What are the key properties of N-prop-2-enylthian-3-amine?
N-prop-2-enylthian-3-amine has a molecular weight of 157.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylthian-3-amine is sourced from PubChem (CID 62872866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).