(6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine

C9H22N2O2S — CID 105199486

IUPAC(6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine
SMILESCCS(=O)(=O)CCCC(NN)C(C)C
InChIInChI=1S/C9H22N2O2S/c1-4-14(12,13)7-5-6-9(11-10)8(2)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyMSLNSCOUVAAQQS-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.69
Rot. Bonds7

About (6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine

(6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine (PubChem CID 105199486) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is (6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine.

Molecular Properties

Compound Name(6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine
PubChem CID105199486
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name(6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine
SMILESCCS(=O)(=O)CCCC(NN)C(C)C
InChIInChI=1S/C9H22N2O2S/c1-4-14(12,13)7-5-6-9(11-10)8(2)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyMSLNSCOUVAAQQS-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.69
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

[1,1,1-Trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-yl]hydrazine
CID 103312743
[6-Ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-yl]hydrazine
CID 103312818
(6-Ethylsulfonyl-1,1,1-trifluorohexan-3-yl)hydrazine
CID 105205912
(6,6,6-Trifluoro-2-methyl-2-methylsulfonylhexan-3-yl)hydrazine
CID 105313996
(2,4-Dimethyl-1,1-dioxothiolan-3-yl)hydrazine
CID 154245017
2-Hydrazinyl-5-methylhexane-1-sulfonic acid
CID 175448143
6-Ethylsulfonyl-2-methylhexan-3-amine
CID 61057578
1-Ethylsulfonyl-5-methylhexan-3-amine
CID 65020213
(1,1-Dioxothiepan-4-yl)methylhydrazine
CID 84664356
2-(1,1-Dioxothian-3-yl)ethylhydrazine
CID 84664357
(1,1-Dioxothiepan-3-yl)methylhydrazine
CID 84664360
(1-Cyclobutyl-5-methylsulfonylpentan-2-yl)hydrazine
CID 103170426

Frequently Asked Questions

What is the IUPAC name of (6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine?
The IUPAC name of (6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine (CID 105199486) is (6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine.
What is the SMILES notation for (6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine?
The canonical SMILES for (6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine is CCS(=O)(=O)CCCC(NN)C(C)C.
What is the InChIKey of (6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine?
The InChIKey is MSLNSCOUVAAQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-4-14(12,13)7-5-6-9(11-10)8(2)3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of (6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine?
(6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine has a molecular weight of 222.35 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine is sourced from PubChem (CID 105199486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).