N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine

C15H19F2NS — CID 55092293

IUPACN-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine
SMILESFc1ccc(F)c(SCCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H19F2NS/c16-12-5-6-13(17)14(9-12)19-8-7-18-15(10-1-2-10)11-3-4-11/h5-6,9-11,15,18H,1-4,7-8H2
InChIKeyJVGIMEIRNOPWNG-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.84
Rot. Bonds7

About N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine

N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine (PubChem CID 55092293) has the molecular formula C15H19F2NS and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine
PubChem CID55092293
Molecular FormulaC15H19F2NS
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine
SMILESFc1ccc(F)c(SCCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H19F2NS/c16-12-5-6-13(17)14(9-12)19-8-7-18-15(10-1-2-10)11-3-4-11/h5-6,9-11,15,18H,1-4,7-8H2
InChIKeyJVGIMEIRNOPWNG-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)sulfanylethyl]propan-2-amine
CID 13655059
4-{2-[(4-Fluorophenyl)sulfanyl]ethyl}piperidine
CID 18461122
4-[(2-Fluorophenyl)sulfanylmethyl]piperidine
CID 22247977
4-{[(4-Fluorophenyl)sulfanyl]methyl}piperidine
CID 60137056
(3R)-4-phenylsulfanyl-1-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 67069506
4-phenylsulfanyl-1-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 77220743
(3R)-1-N-(2,2-difluoroethyl)-4-phenylsulfanylbutane-1,3-diamine
CID 87257662
(3R)-1-N-(2-fluoroethyl)-4-phenylsulfanylbutane-1,3-diamine
CID 87257708
(2S)-N-ethyl-1-(4-fluorophenyl)sulfanylpentan-2-amine
CID 142099428
2-[2-[(4-Fluorophenyl)sulfanylmethyl]prop-2-enyl]pyrrolidine
CID 170043563
(2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine
CID 171542454
(2R)-4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine
CID 171542501

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine (CID 55092293) is N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine is Fc1ccc(F)c(SCCNC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine?
The InChIKey is JVGIMEIRNOPWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NS/c16-12-5-6-13(17)14(9-12)19-8-7-18-15(10-1-2-10)11-3-4-11/h5-6,9-11,15,18H,1-4,7-8H2.
What are the key properties of N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine?
N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine has a molecular weight of 283.39 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(2,5-difluorophenyl)sulfanylethanamine is sourced from PubChem (CID 55092293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).