2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine

C8H15NS — CID 174119125

IUPAC2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine
SMILESC=C(C)C(=NSC)C(C)C
InChIInChI=1S/C8H15NS/c1-6(2)8(7(3)4)9-10-5/h7H,1H2,2-5H3
InChIKeyHWIRPNVWABTWRL-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.94
Rot. Bonds3

About 2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine

2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine (PubChem CID 174119125) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine.

Molecular Properties

Compound Name2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine
PubChem CID174119125
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine
SMILESC=C(C)C(=NSC)C(C)C
InChIInChI=1S/C8H15NS/c1-6(2)8(7(3)4)9-10-5/h7H,1H2,2-5H3
InChIKeyHWIRPNVWABTWRL-UHFFFAOYSA-N
XLogP2.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.94
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 2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine?
The IUPAC name of 2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine (CID 174119125) is 2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine.
What is the SMILES notation for 2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine?
The canonical SMILES for 2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine is C=C(C)C(=NSC)C(C)C.
What is the InChIKey of 2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine?
The InChIKey is HWIRPNVWABTWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6(2)8(7(3)4)9-10-5/h7H,1H2,2-5H3.
What are the key properties of 2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine?
2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine has a molecular weight of 157.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine is sourced from PubChem (CID 174119125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).