2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide

C10H16N4OS — CID 63589205

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
SMILESCC(C)C(Sc1ccc(N)cn1)C(=O)NN
InChIInChI=1S/C10H16N4OS/c1-6(2)9(10(15)14-12)16-8-4-3-7(11)5-13-8/h3-6,9H,11-12H2,1-2H3,(H,14,15)
InChIKeyPKPXEXTZCICNMB-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.77
Rot. Bonds4

About 2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide

2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide (PubChem CID 63589205) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
PubChem CID63589205
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
SMILESCC(C)C(Sc1ccc(N)cn1)C(=O)NN
InChIInChI=1S/C10H16N4OS/c1-6(2)9(10(15)14-12)16-8-4-3-7(11)5-13-8/h3-6,9H,11-12H2,1-2H3,(H,14,15)
InChIKeyPKPXEXTZCICNMB-UHFFFAOYSA-N
XLogP0.77
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide
CID 63590276
3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide
CID 63590109
3-[(5-amino-2-pyridinyl)sulfanyl]-2,2-dimethylpropanehydrazide
CID 79630811
methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate
CID 61318239
3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide
CID 63580962
2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid
CID 61318641
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
CID 79405258
2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide
CID 79527866
2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide
CID 63581762
2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid
CID 83038185
2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide
CID 55215053
(2S)-N-carbamoyl-3-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]butanamide
CID 7594090

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide (CID 63589205) is 2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide is CC(C)C(Sc1ccc(N)cn1)C(=O)NN.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide?
The InChIKey is PKPXEXTZCICNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-6(2)9(10(15)14-12)16-8-4-3-7(11)5-13-8/h3-6,9H,11-12H2,1-2H3,(H,14,15).
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide?
2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide has a molecular weight of 240.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide is sourced from PubChem (CID 63589205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).