N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine

C12H15F2NS — CID 62576350

IUPACN-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Sc1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NS/c1-8(7-15-9-2-3-9)16-10-4-5-11(13)12(14)6-10/h4-6,8-9,15H,2-3,7H2,1H3
InChIKeyZYBNHBXLSRLTPB-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine

N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine (PubChem CID 62576350) has the molecular formula C12H15F2NS and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine
PubChem CID62576350
Molecular FormulaC12H15F2NS
Molecular Weight243.32 g/mol
Exact Mass243.09
IUPAC NameN-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Sc1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NS/c1-8(7-15-9-2-3-9)16-10-4-5-11(13)12(14)6-10/h4-6,8-9,15H,2-3,7H2,1H3
InChIKeyZYBNHBXLSRLTPB-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 62576763
N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine
CID 62577788
2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide
CID 64709642
N-[2-(2,4-dimethylphenyl)sulfanylpropyl]cyclopropanamine
CID 62583351
N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine
CID 55194771
N-[[5-(3,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 63807981
N-[2-(2-bromophenyl)sulfanylpropyl]cyclopropanamine
CID 62578432
4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
4-(3,4-difluorophenyl)sulfanylpentanoic acid
CID 62215056
N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528286
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
N-(2-phenylsulfanylpropyl)thiolan-3-amine
CID 115724831

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine?
The IUPAC name of N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine (CID 62576350) is N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine is CC(CNC1CC1)Sc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine?
The InChIKey is ZYBNHBXLSRLTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NS/c1-8(7-15-9-2-3-9)16-10-4-5-11(13)12(14)6-10/h4-6,8-9,15H,2-3,7H2,1H3.
What are the key properties of N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine?
N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine has a molecular weight of 243.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine is sourced from PubChem (CID 62576350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).