(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine

C6H16N2O2S — CID 105282659

IUPAC(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
SMILESCC(NN)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-5(8-7)6(2,3)11(4,9)10/h5,8H,7H2,1-4H3
InChIKeyIIRXBBMXHLQISP-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.34
Rot. Bonds3

About (3-methyl-3-methylsulfonylbutan-2-yl)hydrazine

(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine (PubChem CID 105282659) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is (3-methyl-3-methylsulfonylbutan-2-yl)hydrazine.

Molecular Properties

Compound Name(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
PubChem CID105282659
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
SMILESCC(NN)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-5(8-7)6(2,3)11(4,9)10/h5,8H,7H2,1-4H3
InChIKeyIIRXBBMXHLQISP-UHFFFAOYSA-N
XLogP-0.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid
CID 142626015
(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine
CID 105331426
[2-methyl-2-methylsulfonyl-1-(4-propan-2-ylphenyl)propyl]hydrazine
CID 105304336
(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105321743
(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine
CID 105329070
(2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine
CID 105305321
N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine
CID 114978377
2,4-dimethyl-2-methylsulfonylhexan-3-amine
CID 105017427
(2-methyl-2-methylsulfonyl-1-thiophen-3-ylpropyl)hydrazine
CID 105312096
[1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
CID 105287993
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 107292535
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 107292604

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3-methylsulfonylbutan-2-yl)hydrazine?
The IUPAC name of (3-methyl-3-methylsulfonylbutan-2-yl)hydrazine (CID 105282659) is (3-methyl-3-methylsulfonylbutan-2-yl)hydrazine.
What is the SMILES notation for (3-methyl-3-methylsulfonylbutan-2-yl)hydrazine?
The canonical SMILES for (3-methyl-3-methylsulfonylbutan-2-yl)hydrazine is CC(NN)C(C)(C)S(C)(=O)=O.
What is the InChIKey of (3-methyl-3-methylsulfonylbutan-2-yl)hydrazine?
The InChIKey is IIRXBBMXHLQISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-5(8-7)6(2,3)11(4,9)10/h5,8H,7H2,1-4H3.
What are the key properties of (3-methyl-3-methylsulfonylbutan-2-yl)hydrazine?
(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine has a molecular weight of 180.27 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3-methylsulfonylbutan-2-yl)hydrazine is sourced from PubChem (CID 105282659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).