N-(1-methylsulfanylethenyl)propan-2-imine

C6H11NS — CID 154522088

IUPACN-(1-methylsulfanylethenyl)propan-2-imine
SMILESC=C(N=C(C)C)SC
InChIInChI=1S/C6H11NS/c1-5(2)7-6(3)8-4/h3H2,1-2,4H3
InChIKeyZIASSVPWNNWLRF-UHFFFAOYSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds2

About N-(1-methylsulfanylethenyl)propan-2-imine

N-(1-methylsulfanylethenyl)propan-2-imine (PubChem CID 154522088) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N-(1-methylsulfanylethenyl)propan-2-imine.

Molecular Properties

Compound NameN-(1-methylsulfanylethenyl)propan-2-imine
PubChem CID154522088
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN-(1-methylsulfanylethenyl)propan-2-imine
SMILESC=C(N=C(C)C)SC
InChIInChI=1S/C6H11NS/c1-5(2)7-6(3)8-4/h3H2,1-2,4H3
InChIKeyZIASSVPWNNWLRF-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylethenyl)propan-2-imine?
The IUPAC name of N-(1-methylsulfanylethenyl)propan-2-imine (CID 154522088) is N-(1-methylsulfanylethenyl)propan-2-imine.
What is the SMILES notation for N-(1-methylsulfanylethenyl)propan-2-imine?
The canonical SMILES for N-(1-methylsulfanylethenyl)propan-2-imine is C=C(N=C(C)C)SC.
What is the InChIKey of N-(1-methylsulfanylethenyl)propan-2-imine?
The InChIKey is ZIASSVPWNNWLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5(2)7-6(3)8-4/h3H2,1-2,4H3.
What are the key properties of N-(1-methylsulfanylethenyl)propan-2-imine?
N-(1-methylsulfanylethenyl)propan-2-imine has a molecular weight of 129.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylethenyl)propan-2-imine is sourced from PubChem (CID 154522088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).