5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide

C8H18N2O3S — CID 79670922

IUPAC5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide
SMILESNNC(=O)CCCCSCC(O)CO
InChIInChI=1S/C8H18N2O3S/c9-10-8(13)3-1-2-4-14-6-7(12)5-11/h7,11-12H,1-6,9H2,(H,10,13)
InChIKeyOACBHHHODJCBPZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.77
Rot. Bonds8

About 5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide

5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide (PubChem CID 79670922) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide.

Molecular Properties

Compound Name5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide
PubChem CID79670922
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide
SMILESNNC(=O)CCCCSCC(O)CO
InChIInChI=1S/C8H18N2O3S/c9-10-8(13)3-1-2-4-14-6-7(12)5-11/h7,11-12H,1-6,9H2,(H,10,13)
InChIKeyOACBHHHODJCBPZ-UHFFFAOYSA-N
XLogP-0.77
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-amino-2-methylpropyl)sulfanylpentanehydrazide
CID 66227651
5-(2-methylbutylsulfanyl)pentanehydrazide
CID 107761022
4-[2,3-bis[(4-hydrazinyl-4-oxobutyl)sulfanyl]propylsulfanyl]butanehydrazide;methane
CID 157227391
11-octadecylsulfanylundecanehydrazide
CID 18183822
4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66224257
hexanedihydrazide;pentanedihydrazide
CID 157195533
4-pentylsulfanylbutanehydrazide
CID 107760917
4-ethylsulfanylbutanehydrazide
CID 63581929
4-butylsulfanylbutanehydrazide
CID 63582322
12-hydroxydodecanehydrazide
CID 12718243
6-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylhexanoic acid
CID 106714509
3-(2,3-dihydroxypropylsulfanyl)-N-(methylcarbamoyl)propanamide
CID 79681774

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide?
The IUPAC name of 5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide (CID 79670922) is 5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide.
What is the SMILES notation for 5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide?
The canonical SMILES for 5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide is NNC(=O)CCCCSCC(O)CO.
What is the InChIKey of 5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide?
The InChIKey is OACBHHHODJCBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c9-10-8(13)3-1-2-4-14-6-7(12)5-11/h7,11-12H,1-6,9H2,(H,10,13).
What are the key properties of 5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide?
5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide has a molecular weight of 222.31 g/mol, XLogP of -0.77, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide is sourced from PubChem (CID 79670922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).