3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide

C9H20N2OS — CID 79631659

IUPAC3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide
SMILESCCC(C)SCC(C)(C)C(=O)NN
InChIInChI=1S/C9H20N2OS/c1-5-7(2)13-6-9(3,4)8(12)11-10/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyCUNRKBRERFZVJI-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.53
Rot. Bonds5

About 3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide

3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide (PubChem CID 79631659) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide
PubChem CID79631659
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide
SMILESCCC(C)SCC(C)(C)C(=O)NN
InChIInChI=1S/C9H20N2OS/c1-5-7(2)13-6-9(3,4)8(12)11-10/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyCUNRKBRERFZVJI-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butan-2-yloxy-2,2-dimethylpropanehydrazide
CID 79628507
2-amino-3-butan-2-ylsulfanyl-2-methylpropan-1-ol
CID 64820405
3-amino-2,2-dimethylpropanehydrazide
CID 115426740
2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide
CID 165467276
1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol
CID 114496176
2,2-dimethyl-3-(oxetan-3-ylsulfanyl)propanehydrazide
CID 79631577
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide
CID 79631384
3-(1-carboxypropan-2-ylsulfanyl)-2,2-dimethylpropanoic acid
CID 79630328
methyl 4-butan-2-ylsulfanyl-3-oxo-2-propan-2-ylbutanoate
CID 65141135
hydrazinyl 3-butan-2-ylsulfanylpropanoate
CID 66337707
3-(4-methoxy-4-oxobutan-2-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79628875
(2S)-2-amino-3-[(2R)-butan-2-yl]sulfanylpropanoic acid
CID 28744671

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide (CID 79631659) is 3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide is CCC(C)SCC(C)(C)C(=O)NN.
What is the InChIKey of 3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide?
The InChIKey is CUNRKBRERFZVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-5-7(2)13-6-9(3,4)8(12)11-10/h7H,5-6,10H2,1-4H3,(H,11,12).
What are the key properties of 3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide?
3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide has a molecular weight of 204.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylsulfanyl-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79631659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).