4-[(4-bromophenyl)methyl]thiolan-3-amine

C11H14BrNS — CID 83197022

IUPAC4-[(4-bromophenyl)methyl]thiolan-3-amine
SMILESNC1CSCC1Cc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNS/c12-10-3-1-8(2-4-10)5-9-6-14-7-11(9)13/h1-4,9,11H,5-7,13H2
InChIKeyYXMDICPODKDIPL-UHFFFAOYSA-N
MW272.21 g/mol
LogP2.68
Rot. Bonds2

About 4-[(4-bromophenyl)methyl]thiolan-3-amine

4-[(4-bromophenyl)methyl]thiolan-3-amine (PubChem CID 83197022) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]thiolan-3-amine
PubChem CID83197022
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name4-[(4-bromophenyl)methyl]thiolan-3-amine
SMILESNC1CSCC1Cc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNS/c12-10-3-1-8(2-4-10)5-9-6-14-7-11(9)13/h1-4,9,11H,5-7,13H2
InChIKeyYXMDICPODKDIPL-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-[(4-bromophenyl)methyl]thiolane
CID 83191564
4-[(3,5-difluorophenyl)methyl]thiolan-3-amine
CID 105404563
1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
CID 160773433
[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine
CID 81011021
4-[(4-bromophenyl)methyl]piperidin-3-ol
CID 115005416
4-[(4-iodophenyl)methyl]thiolan-3-ol
CID 83190503
4-[(2,3-difluorophenyl)methyl]thiolan-3-amine
CID 83196495
trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99939597
1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016958
2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetonitrile
CID 118947152
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
4-[(4-tert-butylphenyl)methyl]thiolan-3-ol
CID 83190158

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]thiolan-3-amine?
The IUPAC name of 4-[(4-bromophenyl)methyl]thiolan-3-amine (CID 83197022) is 4-[(4-bromophenyl)methyl]thiolan-3-amine.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]thiolan-3-amine?
The canonical SMILES for 4-[(4-bromophenyl)methyl]thiolan-3-amine is NC1CSCC1Cc1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]thiolan-3-amine?
The InChIKey is YXMDICPODKDIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c12-10-3-1-8(2-4-10)5-9-6-14-7-11(9)13/h1-4,9,11H,5-7,13H2.
What are the key properties of 4-[(4-bromophenyl)methyl]thiolan-3-amine?
4-[(4-bromophenyl)methyl]thiolan-3-amine has a molecular weight of 272.21 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 83197022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).