2-(dihydroxyamino)-10-methylsulfanyldecanoate

C11H22NO4S- — CID 46878452

IUPAC2-(dihydroxyamino)-10-methylsulfanyldecanoate
SMILESCSCCCCCCCCC(C(=O)[O-])N(O)O
InChIInChI=1S/C11H23NO4S/c1-17-9-7-5-3-2-4-6-8-10(11(13)14)12(15)16/h10,15-16H,2-9H2,1H3,(H,13,14)/p-1
InChIKeyHNSLELPGRITQOV-UHFFFAOYSA-M
MW264.37 g/mol
LogP1.28
Rot. Bonds11

About 2-(dihydroxyamino)-10-methylsulfanyldecanoate

2-(dihydroxyamino)-10-methylsulfanyldecanoate (PubChem CID 46878452) has the molecular formula C11H22NO4S- and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(dihydroxyamino)-10-methylsulfanyldecanoate.

Molecular Properties

Compound Name2-(dihydroxyamino)-10-methylsulfanyldecanoate
PubChem CID46878452
Molecular FormulaC11H22NO4S-
Molecular Weight264.37 g/mol
Exact Mass264.13
IUPAC Name2-(dihydroxyamino)-10-methylsulfanyldecanoate
SMILESCSCCCCCCCCC(C(=O)[O-])N(O)O
InChIInChI=1S/C11H23NO4S/c1-17-9-7-5-3-2-4-6-8-10(11(13)14)12(15)16/h10,15-16H,2-9H2,1H3,(H,13,14)/p-1
InChIKeyHNSLELPGRITQOV-UHFFFAOYSA-M
XLogP1.28
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(dihydroxyamino)-7-methylsulfanylheptanoate
CID 46878454
sodium 14-methylsulfanyltetradecanoate
CID 102013140
sodium 2-(didecylamino)heptanoate
CID 101314811
2-[formyl(methyl)amino]-5-methylsulfanylpentanoic acid
CID 103089381
2-(dimethylamino)tetradecanoate;trimethylazanium
CID 141413002
magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)
CID 141025880
tris(2-amino-4-methylsulfanylbutanoate);chromium(3+)
CID 71661183
disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)
CID 142741182
2-azaniumyl-4-methylsulfanylbutanoate
CID 5255805
2-amino-4-methylsulfanylbutanoate;hydron
CID 135373086
CID 172908207
CID 172908207
7-methylsulfanyl-2-oxo-3-propan-2-ylheptanoic acid
CID 150207985

Frequently Asked Questions

What is the IUPAC name of 2-(dihydroxyamino)-10-methylsulfanyldecanoate?
The IUPAC name of 2-(dihydroxyamino)-10-methylsulfanyldecanoate (CID 46878452) is 2-(dihydroxyamino)-10-methylsulfanyldecanoate.
What is the SMILES notation for 2-(dihydroxyamino)-10-methylsulfanyldecanoate?
The canonical SMILES for 2-(dihydroxyamino)-10-methylsulfanyldecanoate is CSCCCCCCCCC(C(=O)[O-])N(O)O.
What is the InChIKey of 2-(dihydroxyamino)-10-methylsulfanyldecanoate?
The InChIKey is HNSLELPGRITQOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H23NO4S/c1-17-9-7-5-3-2-4-6-8-10(11(13)14)12(15)16/h10,15-16H,2-9H2,1H3,(H,13,14)/p-1.
What are the key properties of 2-(dihydroxyamino)-10-methylsulfanyldecanoate?
2-(dihydroxyamino)-10-methylsulfanyldecanoate has a molecular weight of 264.37 g/mol, XLogP of 1.28, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihydroxyamino)-10-methylsulfanyldecanoate is sourced from PubChem (CID 46878452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).