5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol

C10H16BrNOS — CID 107267901

IUPAC5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1sccc1Br
InChIInChI=1S/C10H16BrNOS/c1-8(13)3-2-5-12-7-10-9(11)4-6-14-10/h4,6,8,12-13H,2-3,5,7H2,1H3
InChIKeyXXPKKYITACCMFC-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.76
Rot. Bonds6

About 5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol

5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol (PubChem CID 107267901) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is 5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol
PubChem CID107267901
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC Name5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1sccc1Br
InChIInChI=1S/C10H16BrNOS/c1-8(13)3-2-5-12-7-10-9(11)4-6-14-10/h4,6,8,12-13H,2-3,5,7H2,1H3
InChIKeyXXPKKYITACCMFC-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromothiophen-2-yl)pentan-2-ol
CID 64516501
N-[(3-bromothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115379805
2-[(3-bromothiophen-2-yl)methylamino]ethanesulfonamide
CID 115379860
3-[(3-bromothiophen-2-yl)methylamino]-N,N-diethylpropanamide
CID 115380150
N-[2-[(3-bromothiophen-2-yl)methylamino]ethyl]ethanesulfonamide
CID 86793085
3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol
CID 65111901
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
N-[(3-bromothiophen-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 115380238
1-N-[(3-bromothiophen-2-yl)methyl]-5-methoxypentane-1,2-diamine
CID 81102533
5-[(4-fluorophenyl)methylamino]pentan-2-ol
CID 107267828
3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine
CID 62530405
N-[(3-bromothiophen-2-yl)methyl]-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103080825

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol (CID 107267901) is 5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol is CC(O)CCCNCc1sccc1Br.
What is the InChIKey of 5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol?
The InChIKey is XXPKKYITACCMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-8(13)3-2-5-12-7-10-9(11)4-6-14-10/h4,6,8,12-13H,2-3,5,7H2,1H3.
What are the key properties of 5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol?
5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol has a molecular weight of 278.21 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 107267901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).