(Z)-N-methylsulfanylbutan-2-imine

C5H11NS — CID 126498318

IUPAC(Z)-N-methylsulfanylbutan-2-imine
SMILESCC/C(C)=N\SC
InChIInChI=1S/C5H11NS/c1-4-5(2)6-7-3/h4H2,1-3H3/b6-5-
InChIKeyQDOAPRZXPUKJSJ-WAYWQWQTSA-N
MW117.22 g/mol
LogP2.14
Rot. Bonds2

About (Z)-N-methylsulfanylbutan-2-imine

(Z)-N-methylsulfanylbutan-2-imine (PubChem CID 126498318) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (Z)-N-methylsulfanylbutan-2-imine.

Molecular Properties

Compound Name(Z)-N-methylsulfanylbutan-2-imine
PubChem CID126498318
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(Z)-N-methylsulfanylbutan-2-imine
SMILESCC/C(C)=N\SC
InChIInChI=1S/C5H11NS/c1-4-5(2)6-7-3/h4H2,1-3H3/b6-5-
InChIKeyQDOAPRZXPUKJSJ-WAYWQWQTSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 52.14
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 (Z)-N-methylsulfanylbutan-2-imine?
The IUPAC name of (Z)-N-methylsulfanylbutan-2-imine (CID 126498318) is (Z)-N-methylsulfanylbutan-2-imine.
What is the SMILES notation for (Z)-N-methylsulfanylbutan-2-imine?
The canonical SMILES for (Z)-N-methylsulfanylbutan-2-imine is CC/C(C)=N\SC.
What is the InChIKey of (Z)-N-methylsulfanylbutan-2-imine?
The InChIKey is QDOAPRZXPUKJSJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H11NS/c1-4-5(2)6-7-3/h4H2,1-3H3/b6-5-.
What are the key properties of (Z)-N-methylsulfanylbutan-2-imine?
(Z)-N-methylsulfanylbutan-2-imine has a molecular weight of 117.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methylsulfanylbutan-2-imine is sourced from PubChem (CID 126498318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).