(5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine

C9H22N2O3S — CID 105209937

IUPAC(5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine
SMILESCCCOCC(CCCS(C)(=O)=O)NN
InChIInChI=1S/C9H22N2O3S/c1-3-6-14-8-9(11-10)5-4-7-15(2,12)13/h9,11H,3-8,10H2,1-2H3
InChIKeyNAMKPOWFTUXXCF-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.07
Rot. Bonds9

About (5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine

(5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine (PubChem CID 105209937) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is (5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine.

Molecular Properties

Compound Name(5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine
PubChem CID105209937
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name(5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine
SMILESCCCOCC(CCCS(C)(=O)=O)NN
InChIInChI=1S/C9H22N2O3S/c1-3-6-14-8-9(11-10)5-4-7-15(2,12)13/h9,11H,3-8,10H2,1-2H3
InChIKeyNAMKPOWFTUXXCF-UHFFFAOYSA-N
XLogP0.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[6-Methylsulfonyl-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151442
[1-(2,2-Difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine
CID 103151761
[5-Methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
CID 103217325
[5-Ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
CID 103217527
[5-Methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine
CID 103477523
[5-Ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine
CID 103477812
5-Methylsulfonyl-1-propoxypentan-2-amine
CID 63192588
5-Ethylsulfonyl-1-propoxypentan-2-amine
CID 65095251
1-Ethoxy-5-methylsulfonylpentan-2-amine
CID 65669397
1-Ethoxy-5-ethylsulfonylpentan-2-amine
CID 65670746
[1-(2-Methoxyethoxy)-6-methylsulfonylhexan-3-yl]hydrazine
CID 102929756
[6-Ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-yl]hydrazine
CID 102930045

Frequently Asked Questions

What is the IUPAC name of (5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine?
The IUPAC name of (5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine (CID 105209937) is (5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine.
What is the SMILES notation for (5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine?
The canonical SMILES for (5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine is CCCOCC(CCCS(C)(=O)=O)NN.
What is the InChIKey of (5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine?
The InChIKey is NAMKPOWFTUXXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-3-6-14-8-9(11-10)5-4-7-15(2,12)13/h9,11H,3-8,10H2,1-2H3.
What are the key properties of (5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine?
(5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine has a molecular weight of 238.35 g/mol, XLogP of 0.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfonyl-1-propoxypentan-2-yl)hydrazine is sourced from PubChem (CID 105209937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).