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

C7H18N2O3S — CID 105321743

IUPAC(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
SMILESCOCC(NN)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C7H18N2O3S/c1-7(2,13(4,10)11)6(9-8)5-12-3/h6,9H,5,8H2,1-4H3
InChIKeyBPHONGLKRBZOBW-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.71
Rot. Bonds5

About (1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine

(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine (PubChem CID 105321743) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is (1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine.

Molecular Properties

Compound Name(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
PubChem CID105321743
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
SMILESCOCC(NN)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C7H18N2O3S/c1-7(2,13(4,10)11)6(9-8)5-12-3/h6,9H,5,8H2,1-4H3
InChIKeyBPHONGLKRBZOBW-UHFFFAOYSA-N
XLogP-0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(1-methoxy-3,3-dimethylpentan-2-yl)hydrazine
CID 105321734
(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine
CID 105331426
(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine
CID 105329070
(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105282659
[1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
CID 105334662
[3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105329655
(2R)-2-hydrazinyl-3-methyl-3-methylsulfonylbutanoic acid
CID 142626015
3,3-difluoro-1-methoxy-N-methylbutan-2-amine
CID 130979368
N,2,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 105028788
2,4-dimethyl-2-methylsulfonylhexan-3-amine
CID 105017427
N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine
CID 115819643
N-(2-methoxyethoxy)-2-methyl-2-methylsulfonylpropanamide
CID 79676240

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine?
The IUPAC name of (1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine (CID 105321743) is (1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine.
What is the SMILES notation for (1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine?
The canonical SMILES for (1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine is COCC(NN)C(C)(C)S(C)(=O)=O.
What is the InChIKey of (1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine?
The InChIKey is BPHONGLKRBZOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-7(2,13(4,10)11)6(9-8)5-12-3/h6,9H,5,8H2,1-4H3.
What are the key properties of (1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine?
(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine has a molecular weight of 210.30 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine is sourced from PubChem (CID 105321743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).