hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid

C14H23NO5S — CID 70154736

IUPAChydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid
SMILESCOc1ccc([S@@](=O)CCCCCCC(=O)O)cc1.NO
InChIInChI=1S/C14H20O4S.H3NO/c1-18-12-7-9-13(10-8-12)19(17)11-5-3-2-4-6-14(15)16;1-2/h7-10H,2-6,11H2,1H3,(H,15,16);2H,1H2/t19-;/m0./s1
InChIKeyFVFWNTWUIWNBQS-FYZYNONXSA-N
MW317.41 g/mol
LogP2.17
Rot. Bonds9

About hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid

hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid (PubChem CID 70154736) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid.

Molecular Properties

Compound Namehydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid
PubChem CID70154736
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Namehydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid
SMILESCOc1ccc([S@@](=O)CCCCCCC(=O)O)cc1.NO
InChIInChI=1S/C14H20O4S.H3NO/c1-18-12-7-9-13(10-8-12)19(17)11-5-3-2-4-6-14(15)16;1-2/h7-10H,2-6,11H2,1H3,(H,15,16);2H,1H2/t19-;/m0./s1
InChIKeyFVFWNTWUIWNBQS-FYZYNONXSA-N
XLogP2.17
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-propan-2-ylphenyl)sulfinylpentanoic acid
CID 61302550
4-(3-methoxyphenyl)sulfinylbutanoic acid
CID 61304341
methyl 6-(4-aminophenyl)sulfinylhexanoate
CID 11601456
2-[4-[(4-methoxyphenyl)methylsulfinyl]phenyl]acetic acid
CID 64927206
16-[(4-methoxyphenyl)methoxy]-16-oxohexadecanoic acid
CID 58079476
5-(2-methoxyphenyl)sulfinylpentanoic acid
CID 61290365
4-naphthalen-2-ylsulfinylbutanoic acid
CID 61302772
6-(4-methoxyphenyl)sulfanylhexanoic acid
CID 24797502
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
2-[3-(4-methoxyphenyl)sulfinylpropoxy]aniline
CID 61302811
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 60982858

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid?
The IUPAC name of hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid (CID 70154736) is hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid.
What is the SMILES notation for hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid?
The canonical SMILES for hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid is COc1ccc([S@@](=O)CCCCCCC(=O)O)cc1.NO.
What is the InChIKey of hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid?
The InChIKey is FVFWNTWUIWNBQS-FYZYNONXSA-N. The full InChI is InChI=1S/C14H20O4S.H3NO/c1-18-12-7-9-13(10-8-12)19(17)11-5-3-2-4-6-14(15)16;1-2/h7-10H,2-6,11H2,1H3,(H,15,16);2H,1H2/t19-;/m0./s1.
What are the key properties of hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid?
hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid has a molecular weight of 317.41 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid is sourced from PubChem (CID 70154736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).