N-(3-methylbut-2-en-2-ylsulfanyl)methanimine

C6H11NS — CID 178007054

IUPACN-(3-methylbut-2-en-2-ylsulfanyl)methanimine
SMILESC=NSC(C)=C(C)C
InChIInChI=1S/C6H11NS/c1-5(2)6(3)8-7-4/h4H2,1-3H3
InChIKeyUPQRMNNANMNOGW-UHFFFAOYSA-N
MW129.23 g/mol
LogP2.65
Rot. Bonds2

About N-(3-methylbut-2-en-2-ylsulfanyl)methanimine

N-(3-methylbut-2-en-2-ylsulfanyl)methanimine (PubChem CID 178007054) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N-(3-methylbut-2-en-2-ylsulfanyl)methanimine.

Molecular Properties

Compound NameN-(3-methylbut-2-en-2-ylsulfanyl)methanimine
PubChem CID178007054
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN-(3-methylbut-2-en-2-ylsulfanyl)methanimine
SMILESC=NSC(C)=C(C)C
InChIInChI=1S/C6H11NS/c1-5(2)6(3)8-7-4/h4H2,1-3H3
InChIKeyUPQRMNNANMNOGW-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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Related Compounds

ethane;N-(3-methylbut-2-en-2-ylsulfanyl)methanimine
CID 178007053

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-en-2-ylsulfanyl)methanimine?
The IUPAC name of N-(3-methylbut-2-en-2-ylsulfanyl)methanimine (CID 178007054) is N-(3-methylbut-2-en-2-ylsulfanyl)methanimine.
What is the SMILES notation for N-(3-methylbut-2-en-2-ylsulfanyl)methanimine?
The canonical SMILES for N-(3-methylbut-2-en-2-ylsulfanyl)methanimine is C=NSC(C)=C(C)C.
What is the InChIKey of N-(3-methylbut-2-en-2-ylsulfanyl)methanimine?
The InChIKey is UPQRMNNANMNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5(2)6(3)8-7-4/h4H2,1-3H3.
What are the key properties of N-(3-methylbut-2-en-2-ylsulfanyl)methanimine?
N-(3-methylbut-2-en-2-ylsulfanyl)methanimine 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-(3-methylbut-2-en-2-ylsulfanyl)methanimine is sourced from PubChem (CID 178007054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).