1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol

C10H16BrNOS — CID 115623310

IUPAC1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1csc(Br)c1
InChIInChI=1S/C10H16BrNOS/c1-2-3-9(13)6-12-5-8-4-10(11)14-7-8/h4,7,9,12-13H,2-3,5-6H2,1H3
InChIKeyOTSVQSSLGFXHGI-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.76
Rot. Bonds6

About 1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol

1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol (PubChem CID 115623310) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol
PubChem CID115623310
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC Name1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1csc(Br)c1
InChIInChI=1S/C10H16BrNOS/c1-2-3-9(13)6-12-5-8-4-10(11)14-7-8/h4,7,9,12-13H,2-3,5-6H2,1H3
InChIKeyOTSVQSSLGFXHGI-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

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Related Compounds

1-N-[(5-bromothiophen-3-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43432080
N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764037
N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine
CID 43431962
2-[(5-bromothiophen-3-yl)methylamino]acetonitrile
CID 130688668
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate
CID 43646902
1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol
CID 104953695
3-[(5-bromothiophen-3-yl)methylamino]-N-butan-2-ylpropanamide
CID 54893334
1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol
CID 115897828
1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol
CID 115660111
2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid
CID 103268434

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol (CID 115623310) is 1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol is CCCC(O)CNCc1csc(Br)c1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol?
The InChIKey is OTSVQSSLGFXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-2-3-9(13)6-12-5-8-4-10(11)14-7-8/h4,7,9,12-13H,2-3,5-6H2,1H3.
What are the key properties of 1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol?
1-[(5-bromothiophen-3-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 1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 115623310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).