N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine

C12H16BrNS — CID 62803375

IUPACN-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine
SMILESBrc1cccc(SCCCNC2CC2)c1
InChIInChI=1S/C12H16BrNS/c13-10-3-1-4-12(9-10)15-8-2-7-14-11-5-6-11/h1,3-4,9,11,14H,2,5-8H2
InChIKeyWHFBLLCDGVUPPH-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.68
Rot. Bonds6

About N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine

N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine (PubChem CID 62803375) has the molecular formula C12H16BrNS and a molecular weight of 286.24 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine
PubChem CID62803375
Molecular FormulaC12H16BrNS
Molecular Weight286.24 g/mol
Exact Mass285.02
IUPAC NameN-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine
SMILESBrc1cccc(SCCCNC2CC2)c1
InChIInChI=1S/C12H16BrNS/c13-10-3-1-4-12(9-10)15-8-2-7-14-11-5-6-11/h1,3-4,9,11,14H,2,5-8H2
InChIKeyWHFBLLCDGVUPPH-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 53.68
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

5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide
CID 62804810
N-[3-(3,4-dimethylphenyl)sulfanylpropyl]cyclopentanamine
CID 55092477
N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine
CID 60687304
bromobenzene;1-bromo-3-butylsulfanylbenzene
CID 158800951
N-[[2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 66160630
N-[2-(3-bromophenyl)sulfanylethyl]-3-ethoxypropan-1-amine
CID 62804272
N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106061607
5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol
CID 66347513
[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
CID 105238366
N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine
CID 61385919
5-(3-bromophenyl)sulfanylpentan-2-one
CID 62804795
N-[2-(3-bromophenyl)sulfanylethyl]-3-methoxypropan-1-amine
CID 62803757

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine (CID 62803375) is N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine is Brc1cccc(SCCCNC2CC2)c1.
What is the InChIKey of N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine?
The InChIKey is WHFBLLCDGVUPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNS/c13-10-3-1-4-12(9-10)15-8-2-7-14-11-5-6-11/h1,3-4,9,11,14H,2,5-8H2.
What are the key properties of N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine?
N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine has a molecular weight of 286.24 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine is sourced from PubChem (CID 62803375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).