(5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine

C12H28N2O3S — CID 105275021

IUPAC(5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine
SMILESCCOC(CC)(CC)C(CCCS(C)(=O)=O)NN
InChIInChI=1S/C12H28N2O3S/c1-5-12(6-2,17-7-3)11(14-13)9-8-10-18(4,15)16/h11,14H,5-10,13H2,1-4H3
InChIKeySQXIHUBRPXZEBY-UHFFFAOYSA-N
MW280.43 g/mol
LogP1.24
Rot. Bonds10

About (5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine

(5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine (PubChem CID 105275021) has the molecular formula C12H28N2O3S and a molecular weight of 280.43 g/mol. Its IUPAC name is (5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine.

Molecular Properties

Compound Name(5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine
PubChem CID105275021
Molecular FormulaC12H28N2O3S
Molecular Weight280.43 g/mol
Exact Mass280.18
IUPAC Name(5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine
SMILESCCOC(CC)(CC)C(CCCS(C)(=O)=O)NN
InChIInChI=1S/C12H28N2O3S/c1-5-12(6-2,17-7-3)11(14-13)9-8-10-18(4,15)16/h11,14H,5-10,13H2,1-4H3
InChIKeySQXIHUBRPXZEBY-UHFFFAOYSA-N
XLogP1.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 51.24
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

(1,1,1-trifluoro-5-methylsulfonylpentan-2-yl)hydrazine
CID 105215617
(2-ethoxy-6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine
CID 105273996
(1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine
CID 105265023
2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 116727096
(3-ethoxy-3-ethyloct-7-yn-4-yl)hydrazine
CID 105275085
5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine
CID 116757678
(1,1,1-trifluoro-7-methylsulfonylheptan-4-yl)hydrazine
CID 105248920
3-ethoxy-3-ethyl-N,8-dimethylnonan-4-amine
CID 116760023
(3-ethoxy-3-methyloctan-4-yl)hydrazine
CID 105274622
(1-methoxy-2-methyl-7-methylsulfonylheptan-4-yl)hydrazine
CID 105290999
2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 79197227
5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine
CID 116759105

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine?
The IUPAC name of (5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine (CID 105275021) is (5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine.
What is the SMILES notation for (5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine?
The canonical SMILES for (5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine is CCOC(CC)(CC)C(CCCS(C)(=O)=O)NN.
What is the InChIKey of (5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine?
The InChIKey is SQXIHUBRPXZEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3S/c1-5-12(6-2,17-7-3)11(14-13)9-8-10-18(4,15)16/h11,14H,5-10,13H2,1-4H3.
What are the key properties of (5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine?
(5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine has a molecular weight of 280.43 g/mol, XLogP of 1.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine is sourced from PubChem (CID 105275021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).