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

C10H16BrNOS2 — CID 66115909

IUPAC3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol
SMILESCC(N)C(SCCCO)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNOS2/c1-7(12)10(14-6-2-5-13)8-3-4-9(11)15-8/h3-4,7,10,13H,2,5-6,12H2,1H3
InChIKeyDNGHBNOJYARSKR-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.01
Rot. Bonds6

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

3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol (PubChem CID 66115909) has the molecular formula C10H16BrNOS2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol
PubChem CID66115909
Molecular FormulaC10H16BrNOS2
Molecular Weight310.28 g/mol
Exact Mass308.99
IUPAC Name3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol
SMILESCC(N)C(SCCCO)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNOS2/c1-7(12)10(14-6-2-5-13)8-3-4-9(11)15-8/h3-4,7,10,13H,2,5-6,12H2,1H3
InChIKeyDNGHBNOJYARSKR-UHFFFAOYSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol
CID 107770488
1-(5-bromothiophen-2-yl)-1-[(3-methylphenyl)methylsulfanyl]propan-2-amine
CID 62771792
(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 97051516
3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 81338565
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
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
(3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 130708717
1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine
CID 102924749
1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol
CID 130146184
4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66090594

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol?
The IUPAC name of 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol (CID 66115909) is 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol is CC(N)C(SCCCO)c1ccc(Br)s1.
What is the InChIKey of 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol?
The InChIKey is DNGHBNOJYARSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS2/c1-7(12)10(14-6-2-5-13)8-3-4-9(11)15-8/h3-4,7,10,13H,2,5-6,12H2,1H3.
What are the key properties of 3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol?
3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol has a molecular weight of 310.28 g/mol, XLogP of 3.01, 6 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]sulfanylpropan-1-ol is sourced from PubChem (CID 66115909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).