2-(3-aminobutylsulfanyl)butanehydrazide

C8H19N3OS — CID 66234843

IUPAC2-(3-aminobutylsulfanyl)butanehydrazide
SMILESCCC(SCCC(C)N)C(=O)NN
InChIInChI=1S/C8H19N3OS/c1-3-7(8(12)11-10)13-5-4-6(2)9/h6-7H,3-5,9-10H2,1-2H3,(H,11,12)
InChIKeyXMDZLQBGSDRTPQ-UHFFFAOYSA-N
MW205.33 g/mol
LogP0.23
Rot. Bonds6

About 2-(3-aminobutylsulfanyl)butanehydrazide

2-(3-aminobutylsulfanyl)butanehydrazide (PubChem CID 66234843) has the molecular formula C8H19N3OS and a molecular weight of 205.33 g/mol. Its IUPAC name is 2-(3-aminobutylsulfanyl)butanehydrazide.

Molecular Properties

Compound Name2-(3-aminobutylsulfanyl)butanehydrazide
PubChem CID66234843
Molecular FormulaC8H19N3OS
Molecular Weight205.33 g/mol
Exact Mass205.12
IUPAC Name2-(3-aminobutylsulfanyl)butanehydrazide
SMILESCCC(SCCC(C)N)C(=O)NN
InChIInChI=1S/C8H19N3OS/c1-3-7(8(12)11-10)13-5-4-6(2)9/h6-7H,3-5,9-10H2,1-2H3,(H,11,12)
InChIKeyXMDZLQBGSDRTPQ-UHFFFAOYSA-N
XLogP0.23
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-aminobutylsulfanyl)butanoate
CID 66233454
methyl 3-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylpropanoate
CID 63580664
2-(2-methylbutylsulfanyl)pentanehydrazide
CID 107761035
2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide
CID 66234392
2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide
CID 83047696
3-methoxy-2-pentylsulfanylpropanehydrazide
CID 107760948
3-(3-aminobutylsulfanyl)butanoic acid
CID 66232789
2-butan-2-ylsulfanyl-3-methoxypropanehydrazide
CID 103229927
2-butan-2-ylpropanedihydrazide
CID 15253260
S-[(3S)-3-aminobutyl] ethanethioate
CID 55285590
2-methylpentanehydrazide
CID 43183484
(2S)-2-ethylhexanehydrazide
CID 40549650

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfanyl)butanehydrazide?
The IUPAC name of 2-(3-aminobutylsulfanyl)butanehydrazide (CID 66234843) is 2-(3-aminobutylsulfanyl)butanehydrazide.
What is the SMILES notation for 2-(3-aminobutylsulfanyl)butanehydrazide?
The canonical SMILES for 2-(3-aminobutylsulfanyl)butanehydrazide is CCC(SCCC(C)N)C(=O)NN.
What is the InChIKey of 2-(3-aminobutylsulfanyl)butanehydrazide?
The InChIKey is XMDZLQBGSDRTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3OS/c1-3-7(8(12)11-10)13-5-4-6(2)9/h6-7H,3-5,9-10H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-aminobutylsulfanyl)butanehydrazide?
2-(3-aminobutylsulfanyl)butanehydrazide has a molecular weight of 205.33 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfanyl)butanehydrazide is sourced from PubChem (CID 66234843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).