3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol

C10H14BrNOS — CID 64899184

IUPAC3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol
SMILESCC(N)C(CO)Sc1cccc(Br)c1
InChIInChI=1S/C10H14BrNOS/c1-7(12)10(6-13)14-9-4-2-3-8(11)5-9/h2-5,7,10,13H,6,12H2,1H3
InChIKeySPUBOHSHPXKUMP-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.25
Rot. Bonds4

About 3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol

3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol (PubChem CID 64899184) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol
PubChem CID64899184
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol
SMILESCC(N)C(CO)Sc1cccc(Br)c1
InChIInChI=1S/C10H14BrNOS/c1-7(12)10(6-13)14-9-4-2-3-8(11)5-9/h2-5,7,10,13H,6,12H2,1H3
InChIKeySPUBOHSHPXKUMP-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-methylphenyl)sulfanylbutan-1-ol
CID 64899617
3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol
CID 64898105
2-(3-bromophenyl)sulfanylpropanehydrazide
CID 63579968
3-amino-4-methyl-2-phenylsulfanylpentan-1-ol
CID 114369992
3-(3-bromophenyl)sulfanyl-2-methylbutanoic acid
CID 79391052
4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol
CID 64806731
2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
4-(3-bromophenyl)sulfanyl-N-methylpentan-2-amine
CID 64704253
2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylbutan-1-amine
CID 64632583
N-[2-(3-bromophenyl)sulfanylpropyl]pentan-3-amine
CID 63516309
1-(3-bromophenyl)sulfanyl-3,5-dimethylhexan-2-amine
CID 114284878
2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol
CID 116945676

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol (CID 64899184) is 3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol is CC(N)C(CO)Sc1cccc(Br)c1.
What is the InChIKey of 3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol?
The InChIKey is SPUBOHSHPXKUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7(12)10(6-13)14-9-4-2-3-8(11)5-9/h2-5,7,10,13H,6,12H2,1H3.
What are the key properties of 3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol?
3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol has a molecular weight of 276.20 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol is sourced from PubChem (CID 64899184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).