N-prop-1-enylsulfanylpropan-2-imine

C6H11NS — CID 123738911

IUPACN-prop-1-enylsulfanylpropan-2-imine
SMILESCC=CSN=C(C)C
InChIInChI=1S/C6H11NS/c1-4-5-8-7-6(2)3/h4-5H,1-3H3
InChIKeyGSIFZLKYBKLLNM-UHFFFAOYSA-N
MW129.23 g/mol
LogP2.65
Rot. Bonds2

About N-prop-1-enylsulfanylpropan-2-imine

N-prop-1-enylsulfanylpropan-2-imine (PubChem CID 123738911) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N-prop-1-enylsulfanylpropan-2-imine.

Molecular Properties

Compound NameN-prop-1-enylsulfanylpropan-2-imine
PubChem CID123738911
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN-prop-1-enylsulfanylpropan-2-imine
SMILESCC=CSN=C(C)C
InChIInChI=1S/C6H11NS/c1-4-5-8-7-6(2)3/h4-5H,1-3H3
InChIKeyGSIFZLKYBKLLNM-UHFFFAOYSA-N
XLogP2.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-1-enylsulfanylpropan-2-imine?
The IUPAC name of N-prop-1-enylsulfanylpropan-2-imine (CID 123738911) is N-prop-1-enylsulfanylpropan-2-imine.
What is the SMILES notation for N-prop-1-enylsulfanylpropan-2-imine?
The canonical SMILES for N-prop-1-enylsulfanylpropan-2-imine is CC=CSN=C(C)C.
What is the InChIKey of N-prop-1-enylsulfanylpropan-2-imine?
The InChIKey is GSIFZLKYBKLLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-5-8-7-6(2)3/h4-5H,1-3H3.
What are the key properties of N-prop-1-enylsulfanylpropan-2-imine?
N-prop-1-enylsulfanylpropan-2-imine has a molecular weight of 129.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-enylsulfanylpropan-2-imine is sourced from PubChem (CID 123738911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).