2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone

C9H10ClNO2S — CID 124638946

IUPAC2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone
SMILESN[C@@H](S)OCC(=O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO2S/c10-7-4-2-1-3-6(7)8(12)5-13-9(11)14/h1-4,9,14H,5,11H2/t9-/m1/s1
InChIKeyIXFQSRHFXNXDRS-SECBINFHSA-N
MW231.70 g/mol
LogP1.71
Rot. Bonds4

About 2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone

2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone (PubChem CID 124638946) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone
PubChem CID124638946
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone
SMILESN[C@@H](S)OCC(=O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO2S/c10-7-4-2-1-3-6(7)8(12)5-13-9(11)14/h1-4,9,14H,5,11H2/t9-/m1/s1
InChIKeyIXFQSRHFXNXDRS-SECBINFHSA-N
XLogP1.71
TPSA52.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-(2-chlorophenyl)-2-oxoethyl] methanesulfonate
CID 87403648
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578
[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 2066331
3-(2-chlorophenyl)-3-oxopropanoyl chloride
CID 175437558
1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 43411968
1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
CID 66322654
2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43412130
ethyl 4-(2-chlorophenyl)-4-oxobutanoate
CID 24727758
2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone
CID 166958709
2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43413875
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone
CID 116570961

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone (CID 124638946) is 2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone is N[C@@H](S)OCC(=O)c1ccccc1Cl.
What is the InChIKey of 2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone?
The InChIKey is IXFQSRHFXNXDRS-SECBINFHSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c10-7-4-2-1-3-6(7)8(12)5-13-9(11)14/h1-4,9,14H,5,11H2/t9-/m1/s1.
What are the key properties of 2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone?
2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone has a molecular weight of 231.70 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(sulfanyl)methoxy]-1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 124638946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).