4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide

C8H19N3OS — CID 66224257

IUPAC4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
SMILESCC(CN)CSCCCC(=O)NN
InChIInChI=1S/C8H19N3OS/c1-7(5-9)6-13-4-2-3-8(12)11-10/h7H,2-6,9-10H2,1H3,(H,11,12)
InChIKeyHUOWIOYXWGKMLC-UHFFFAOYSA-N
MW205.33 g/mol
LogP0.08
Rot. Bonds7

About 4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide

4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide (PubChem CID 66224257) has the molecular formula C8H19N3OS and a molecular weight of 205.33 g/mol. Its IUPAC name is 4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
PubChem CID66224257
Molecular FormulaC8H19N3OS
Molecular Weight205.33 g/mol
Exact Mass205.12
IUPAC Name4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
SMILESCC(CN)CSCCCC(=O)NN
InChIInChI=1S/C8H19N3OS/c1-7(5-9)6-13-4-2-3-8(12)11-10/h7H,2-6,9-10H2,1H3,(H,11,12)
InChIKeyHUOWIOYXWGKMLC-UHFFFAOYSA-N
XLogP0.08
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 50.08
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

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
4-ethylsulfanylbutanehydrazide
CID 63581929
4-propan-2-ylsulfanylbutanehydrazide
CID 63581042
4-butylsulfanylbutanehydrazide
CID 63582322
5-(2,3-dihydroxypropylsulfanyl)pentanehydrazide
CID 79670922
4-pentylsulfanylbutanehydrazide
CID 107760917
11-octadecylsulfanylundecanehydrazide
CID 18183822
3-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66226073
3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
CID 140969773
hexanedihydrazide;pentanedihydrazide
CID 157195533

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide?
The IUPAC name of 4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide (CID 66224257) is 4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide.
What is the SMILES notation for 4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide?
The canonical SMILES for 4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide is CC(CN)CSCCCC(=O)NN.
What is the InChIKey of 4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide?
The InChIKey is HUOWIOYXWGKMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3OS/c1-7(5-9)6-13-4-2-3-8(12)11-10/h7H,2-6,9-10H2,1H3,(H,11,12).
What are the key properties of 4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide?
4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide has a molecular weight of 205.33 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide is sourced from PubChem (CID 66224257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).