1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine

C16H24INS — CID 65479375

IUPAC1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
SMILESCNC(CSC1CCCCC1)Cc1ccc(I)cc1
InChIInChI=1S/C16H24INS/c1-18-15(11-13-7-9-14(17)10-8-13)12-19-16-5-3-2-4-6-16/h7-10,15-16,18H,2-6,11-12H2,1H3
InChIKeyCSMNKCFUOQSZRQ-UHFFFAOYSA-N
MW389.35 g/mol
LogP4.49
Rot. Bonds6

About 1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine

1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine (PubChem CID 65479375) has the molecular formula C16H24INS and a molecular weight of 389.35 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
PubChem CID65479375
Molecular FormulaC16H24INS
Molecular Weight389.35 g/mol
Exact Mass389.07
IUPAC Name1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
SMILESCNC(CSC1CCCCC1)Cc1ccc(I)cc1
InChIInChI=1S/C16H24INS/c1-18-15(11-13-7-9-14(17)10-8-13)12-19-16-5-3-2-4-6-16/h7-10,15-16,18H,2-6,11-12H2,1H3
InChIKeyCSMNKCFUOQSZRQ-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentylsulfanyl-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 65138877
1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 65138833
1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol
CID 65479114
[1-cyclopentylsulfanyl-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105227574
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139957
[1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105227835
1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321248
1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 65144591
1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine
CID 105373963
1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine
CID 114855831
(3R)-4-(4-iodophenyl)-3-(methylamino)butanal
CID 166917322

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine (CID 65479375) is 1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine is CNC(CSC1CCCCC1)Cc1ccc(I)cc1.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine?
The InChIKey is CSMNKCFUOQSZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24INS/c1-18-15(11-13-7-9-14(17)10-8-13)12-19-16-5-3-2-4-6-16/h7-10,15-16,18H,2-6,11-12H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine?
1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine has a molecular weight of 389.35 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 65479375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).