2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide

C12H16BrNO2S — CID 75394711

IUPAC2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCC(CO)CSC(C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2S/c1-8(6-15)7-17-11(12(14)16)9-3-2-4-10(13)5-9/h2-5,8,11,15H,6-7H2,1H3,(H2,14,16)
InChIKeyKHXGPVIRABHUNE-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.34
Rot. Bonds6

About 2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide

2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (PubChem CID 75394711) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
PubChem CID75394711
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCC(CO)CSC(C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2S/c1-8(6-15)7-17-11(12(14)16)9-3-2-4-10(13)5-9/h2-5,8,11,15H,6-7H2,1H3,(H2,14,16)
InChIKeyKHXGPVIRABHUNE-UHFFFAOYSA-N
XLogP2.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 75435987
2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
methyl 3-(3-bromophenyl)-3-hydroxy-2-(hydroxymethyl)propanoate
CID 175574442
2-[(3-bromophenyl)methylsulfanyl]propanamide
CID 47095045
2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
CID 106344282
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 81382347
3-(3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869213
2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol
CID 116945676
2-[1-(3-bromophenyl)ethylamino]-2-phenylacetamide
CID 56811839
(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide
CID 35643780
(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 96528244
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The IUPAC name of 2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (CID 75394711) is 2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.
What is the SMILES notation for 2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The canonical SMILES for 2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is CC(CO)CSC(C(N)=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The InChIKey is KHXGPVIRABHUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-8(6-15)7-17-11(12(14)16)9-3-2-4-10(13)5-9/h2-5,8,11,15H,6-7H2,1H3,(H2,14,16).
What are the key properties of 2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide has a molecular weight of 318.24 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is sourced from PubChem (CID 75394711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).