3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol

C11H18BrNOS2 — CID 107770488

IUPAC3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol
SMILESCC(N)C(SC(C)C(C)O)c1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS2/c1-6(13)11(15-8(3)7(2)14)9-4-5-10(12)16-9/h4-8,11,14H,13H2,1-3H3
InChIKeyFOCSFDLVQTYGAV-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.40
Rot. Bonds5

About 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol

3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol (PubChem CID 107770488) has the molecular formula C11H18BrNOS2 and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol
PubChem CID107770488
Molecular FormulaC11H18BrNOS2
Molecular Weight324.31 g/mol
Exact Mass323.00
IUPAC Name3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol
SMILESCC(N)C(SC(C)C(C)O)c1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS2/c1-6(13)11(15-8(3)7(2)14)9-4-5-10(12)16-9/h4-8,11,14H,13H2,1-3H3
InChIKeyFOCSFDLVQTYGAV-UHFFFAOYSA-N
XLogP3.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol
CID 66115909
1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol
CID 130146184
1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine
CID 102924749
2-amino-5-(5-bromothiophen-2-yl)hexan-3-ol
CID 83935038
1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine
CID 114000695
1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine
CID 107779753
3-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanylbutan-2-ol
CID 107770385
1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol
CID 116859412
1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine
CID 62771792
1-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine
CID 115478400
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol?
The IUPAC name of 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol (CID 107770488) is 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol is CC(N)C(SC(C)C(C)O)c1ccc(Br)s1.
What is the InChIKey of 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol?
The InChIKey is FOCSFDLVQTYGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS2/c1-6(13)11(15-8(3)7(2)14)9-4-5-10(12)16-9/h4-8,11,14H,13H2,1-3H3.
What are the key properties of 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol?
3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol has a molecular weight of 324.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol is sourced from PubChem (CID 107770488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).