(2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine

C8H20N2O2S — CID 105305321

IUPAC(2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine
SMILESCC(C(NN)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-6(13(5,11)12)7(10-9)8(2,3)4/h6-7,10H,9H2,1-5H3
InChIKeyXMMPDFUHUQBNFH-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.30
Rot. Bonds3

About (2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine

(2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine (PubChem CID 105305321) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is (2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine.

Molecular Properties

Compound Name(2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine
PubChem CID105305321
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name(2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine
SMILESCC(C(NN)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-6(13(5,11)12)7(10-9)8(2,3)4/h6-7,10H,9H2,1-5H3
InChIKeyXMMPDFUHUQBNFH-UHFFFAOYSA-N
XLogP0.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.30
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

(2,4-Dimethyl-1,1-dioxothiolan-3-yl)hydrazine
CID 154245017
4,4-Dimethyl-1-methylsulfonylpentan-3-amine
CID 62599920
(3R,4S)-2,2-dimethyl-4-methylsulfonylpentan-3-amine
CID 97625541
(3R,4R)-2,2-dimethyl-4-methylsulfonylpentan-3-amine
CID 97625542
(3S,4S)-2,2-dimethyl-4-methylsulfonylpentan-3-amine
CID 97625543
(3S,4R)-2,2-dimethyl-4-methylsulfonylpentan-3-amine
CID 97625544
2,2-Dimethyl-4-methylsulfonylpentan-3-amine
CID 102551001
(1-Ethylsulfonyl-6-methylheptan-4-yl)hydrazine
CID 105198871
(6-Methyl-1-methylsulfonylheptan-4-yl)hydrazine
CID 105198878
(6-Ethylsulfonyl-2-methylhexan-3-yl)hydrazine
CID 105199486
(2-Methyl-6-methylsulfonylhexan-3-yl)hydrazine
CID 105199494
5-Methylsulfonylpentan-2-ylhydrazine
CID 105201223

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine?
The IUPAC name of (2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine (CID 105305321) is (2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine.
What is the SMILES notation for (2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine?
The canonical SMILES for (2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine is CC(C(NN)C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of (2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine?
The InChIKey is XMMPDFUHUQBNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-6(13(5,11)12)7(10-9)8(2,3)4/h6-7,10H,9H2,1-5H3.
What are the key properties of (2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine?
(2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine has a molecular weight of 208.33 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-4-methylsulfonylpentan-3-yl)hydrazine is sourced from PubChem (CID 105305321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).