2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine

C13H18BrNS — CID 82931960

IUPAC2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine
SMILESNCC(Sc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C13H18BrNS/c14-11-6-3-7-12(8-11)16-13(9-15)10-4-1-2-5-10/h3,6-8,10,13H,1-2,4-5,9,15H2
InChIKeyJNZROUSELHOOIP-UHFFFAOYSA-N
MW300.26 g/mol
LogP4.06
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine

2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine (PubChem CID 82931960) has the molecular formula C13H18BrNS and a molecular weight of 300.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine
PubChem CID82931960
Molecular FormulaC13H18BrNS
Molecular Weight300.26 g/mol
Exact Mass299.03
IUPAC Name2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine
SMILESNCC(Sc1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C13H18BrNS/c14-11-6-3-7-12(8-11)16-13(9-15)10-4-1-2-5-10/h3,6-8,10,13H,1-2,4-5,9,15H2
InChIKeyJNZROUSELHOOIP-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine
CID 82931065
2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine
CID 82932342
2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
CID 82932372
[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
CID 105238366
2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine
CID 82931377
trans-(1S,2S)-2-(3-bromophenyl)sulfanylcyclohexan-1-ol
CID 67808949
1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
(S)-(3-bromophenyl)-cyclohexylmethanamine
CID 93312550
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
CID 105238338
N-[[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]methyl]cyclopropanamine
CID 81160108
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine (CID 82931960) is 2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine is NCC(Sc1cccc(Br)c1)C1CCCC1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine?
The InChIKey is JNZROUSELHOOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNS/c14-11-6-3-7-12(8-11)16-13(9-15)10-4-1-2-5-10/h3,6-8,10,13H,1-2,4-5,9,15H2.
What are the key properties of 2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine?
2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine has a molecular weight of 300.26 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine is sourced from PubChem (CID 82931960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).