1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol

C12H16BrNOS — CID 43345398

IUPAC1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)CSc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNOS/c13-9-1-5-12(6-2-9)16-8-11(15)7-14-10-3-4-10/h1-2,5-6,10-11,14-15H,3-4,7-8H2
InChIKeyYTMLOYZXRQYPNV-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.65
Rot. Bonds6

About 1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol

1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol (PubChem CID 43345398) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol
PubChem CID43345398
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)CSc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNOS/c13-9-1-5-12(6-2-9)16-8-11(15)7-14-10-3-4-10/h1-2,5-6,10-11,14-15H,3-4,7-8H2
InChIKeyYTMLOYZXRQYPNV-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfanyl-3-(oxan-4-yl)propan-2-ol
CID 66054289
1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 43166334
1-(cyclopropylamino)-3-(2,5-dimethylphenyl)sulfanylpropan-2-ol
CID 43166408
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161084
1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol
CID 66055685
1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol
CID 64719747
2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol
CID 66056467
1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 19817104
N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
CID 62106930
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
1-[(4-chlorophenyl)methylsulfanyl]-3-(cyclopropylamino)propan-2-ol
CID 114790542

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol (CID 43345398) is 1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol is OC(CNC1CC1)CSc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol?
The InChIKey is YTMLOYZXRQYPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c13-9-1-5-12(6-2-9)16-8-11(15)7-14-10-3-4-10/h1-2,5-6,10-11,14-15H,3-4,7-8H2.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol?
1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol has a molecular weight of 302.24 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 43345398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).