(E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine

C13H19NS — CID 130421182

IUPAC(E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine
SMILESC/C(Cc1ccccc1)=N\SC(C)(C)C
InChIInChI=1S/C13H19NS/c1-11(14-15-13(2,3)4)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3/b14-11+
InChIKeyQBSFAPNYEPMGAM-SDNWHVSQSA-N
MW221.37 g/mol
LogP4.14
Rot. Bonds3

About (E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine

(E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine (PubChem CID 130421182) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is (E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine.

Molecular Properties

Compound Name(E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine
PubChem CID130421182
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name(E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine
SMILESC/C(Cc1ccccc1)=N\SC(C)(C)C
InChIInChI=1S/C13H19NS/c1-11(14-15-13(2,3)4)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3/b14-11+
InChIKeyQBSFAPNYEPMGAM-SDNWHVSQSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 54.14
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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Related Compounds

(E)-1-phenylpropan-2-ylidenehydrazine
CID 15578189
2-[(Z)-1-phenylpropan-2-ylideneamino]guanidine
CID 5493424
(E)-N-methyliminoboranyl-1-phenylpropan-2-imine
CID 143866927
(Z)-2-(1-phenylpropan-2-ylideneamino)ethenamine
CID 143649940
1-phenylpropane-2-thione
CID 19915653
benzene;1-phenylpropan-2-one
CID 21430852
(NE)-N-[1-(4-phenylphenyl)propan-2-ylidene]hydroxylamine
CID 15668083
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine?
The IUPAC name of (E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine (CID 130421182) is (E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine.
What is the SMILES notation for (E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine?
The canonical SMILES for (E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine is C/C(Cc1ccccc1)=N\SC(C)(C)C.
What is the InChIKey of (E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine?
The InChIKey is QBSFAPNYEPMGAM-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19NS/c1-11(14-15-13(2,3)4)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3/b14-11+.
What are the key properties of (E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine?
(E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine has a molecular weight of 221.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine is sourced from PubChem (CID 130421182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).