N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine

C16H23NS — CID 13108547

IUPACN-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine
SMILESCC(C)(/C=N/C1CCCCC1)Sc1ccccc1
InChIInChI=1S/C16H23NS/c1-16(2,18-15-11-7-4-8-12-15)13-17-14-9-5-3-6-10-14/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3/b17-13+
InChIKeyKUGWSLMXYVMWSG-GHRIWEEISA-N
MW261.43 g/mol
LogP4.96
Rot. Bonds4

About N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine

N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine (PubChem CID 13108547) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine
PubChem CID13108547
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine
SMILESCC(C)(/C=N/C1CCCCC1)Sc1ccccc1
InChIInChI=1S/C16H23NS/c1-16(2,18-15-11-7-4-8-12-15)13-17-14-9-5-3-6-10-14/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3/b17-13+
InChIKeyKUGWSLMXYVMWSG-GHRIWEEISA-N
XLogP4.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine?
The IUPAC name of N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine (CID 13108547) is N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine.
What is the SMILES notation for N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine?
The canonical SMILES for N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine is CC(C)(/C=N/C1CCCCC1)Sc1ccccc1.
What is the InChIKey of N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine?
The InChIKey is KUGWSLMXYVMWSG-GHRIWEEISA-N. The full InChI is InChI=1S/C16H23NS/c1-16(2,18-15-11-7-4-8-12-15)13-17-14-9-5-3-6-10-14/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3/b17-13+.
What are the key properties of N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine?
N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine has a molecular weight of 261.43 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-2-phenylsulfanylpropan-1-imine is sourced from PubChem (CID 13108547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).