2-(3-hydroxypropylsulfanyl)propanehydrazide

C6H14N2O2S — CID 66128764

IUPAC2-(3-hydroxypropylsulfanyl)propanehydrazide
SMILESCC(SCCCO)C(=O)NN
InChIInChI=1S/C6H14N2O2S/c1-5(6(10)8-7)11-4-2-3-9/h5,9H,2-4,7H2,1H3,(H,8,10)
InChIKeyBXKYYFGHXZWHGO-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.52
Rot. Bonds5

About 2-(3-hydroxypropylsulfanyl)propanehydrazide

2-(3-hydroxypropylsulfanyl)propanehydrazide (PubChem CID 66128764) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(3-hydroxypropylsulfanyl)propanehydrazide.

Molecular Properties

Compound Name2-(3-hydroxypropylsulfanyl)propanehydrazide
PubChem CID66128764
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-(3-hydroxypropylsulfanyl)propanehydrazide
SMILESCC(SCCCO)C(=O)NN
InChIInChI=1S/C6H14N2O2S/c1-5(6(10)8-7)11-4-2-3-9/h5,9H,2-4,7H2,1H3,(H,8,10)
InChIKeyBXKYYFGHXZWHGO-UHFFFAOYSA-N
XLogP-0.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[2,3-bis[(1-hydrazinyl-1-oxopropan-2-yl)sulfanyl]propylsulfanyl]propanehydrazide
CID 18185479
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide
CID 66114719
methyl 3-(3-hydroxypropylsulfanyl)-2-methylbutanoate
CID 79392442
N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide
CID 66128071
2-(3-hydroxypropylsulfanyl)propanimidamide
CID 66115191
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride
CID 119496430
2-(2-aminoethylsulfanyl)-N-butylpropanamide
CID 43117401
4-propan-2-ylsulfanylbutanehydrazide
CID 63581042
4-hydroxy-2-methylbutanehydrazide;hydrochloride
CID 146268568
N-(1-aminohexan-2-yl)-2-butylsulfanylpropanamide
CID 119666195
2-(2-aminoethylsulfanyl)-N-ethylpropanamide
CID 43117398

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylsulfanyl)propanehydrazide?
The IUPAC name of 2-(3-hydroxypropylsulfanyl)propanehydrazide (CID 66128764) is 2-(3-hydroxypropylsulfanyl)propanehydrazide.
What is the SMILES notation for 2-(3-hydroxypropylsulfanyl)propanehydrazide?
The canonical SMILES for 2-(3-hydroxypropylsulfanyl)propanehydrazide is CC(SCCCO)C(=O)NN.
What is the InChIKey of 2-(3-hydroxypropylsulfanyl)propanehydrazide?
The InChIKey is BXKYYFGHXZWHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-5(6(10)8-7)11-4-2-3-9/h5,9H,2-4,7H2,1H3,(H,8,10).
What are the key properties of 2-(3-hydroxypropylsulfanyl)propanehydrazide?
2-(3-hydroxypropylsulfanyl)propanehydrazide has a molecular weight of 178.26 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylsulfanyl)propanehydrazide is sourced from PubChem (CID 66128764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).