N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine

C14H18N2O2S — CID 118459618

IUPACN-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine
SMILESCCC(C)=NOCc1c(N=S=O)cccc1C1CC1
InChIInChI=1S/C14H18N2O2S/c1-3-10(2)15-18-9-13-12(11-7-8-11)5-4-6-14(13)16-19-17/h4-6,11H,3,7-9H2,1-2H3
InChIKeyVOMKLTIULZEKDU-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.89
Rot. Bonds6

About N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine

N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine (PubChem CID 118459618) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine
PubChem CID118459618
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine
SMILESCCC(C)=NOCc1c(N=S=O)cccc1C1CC1
InChIInChI=1S/C14H18N2O2S/c1-3-10(2)15-18-9-13-12(11-7-8-11)5-4-6-14(13)16-19-17/h4-6,11H,3,7-9H2,1-2H3
InChIKeyVOMKLTIULZEKDU-UHFFFAOYSA-N
XLogP3.89
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine?
The IUPAC name of N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine (CID 118459618) is N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine.
What is the SMILES notation for N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine?
The canonical SMILES for N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine is CCC(C)=NOCc1c(N=S=O)cccc1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine?
The InChIKey is VOMKLTIULZEKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-10(2)15-18-9-13-12(11-7-8-11)5-4-6-14(13)16-19-17/h4-6,11H,3,7-9H2,1-2H3.
What are the key properties of N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine?
N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine has a molecular weight of 278.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-6-(sulfinylamino)phenyl]methoxy]butan-2-imine is sourced from PubChem (CID 118459618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).