azane;2,2-bis(ethylsulfonyl)butane;hydrochloride

C8H22ClNO4S2 — CID 173418492

IUPACazane;2,2-bis(ethylsulfonyl)butane;hydrochloride
SMILESCCC(C)(S(=O)(=O)CC)S(=O)(=O)CC.Cl.N
InChIInChI=1S/C8H18O4S2.ClH.H3N/c1-5-8(4,13(9,10)6-2)14(11,12)7-3;;/h5-7H2,1-4H3;1H;1H3
InChIKeyJRHAKBISQNCYOJ-UHFFFAOYSA-N
MW295.85 g/mol
LogP1.57
Rot. Bonds5

About azane;2,2-bis(ethylsulfonyl)butane;hydrochloride

azane;2,2-bis(ethylsulfonyl)butane;hydrochloride (PubChem CID 173418492) has the molecular formula C8H22ClNO4S2 and a molecular weight of 295.85 g/mol. Its IUPAC name is azane;2,2-bis(ethylsulfonyl)butane;hydrochloride.

Molecular Properties

Compound Nameazane;2,2-bis(ethylsulfonyl)butane;hydrochloride
PubChem CID173418492
Molecular FormulaC8H22ClNO4S2
Molecular Weight295.85 g/mol
Exact Mass295.07
IUPAC Nameazane;2,2-bis(ethylsulfonyl)butane;hydrochloride
SMILESCCC(C)(S(=O)(=O)CC)S(=O)(=O)CC.Cl.N
InChIInChI=1S/C8H18O4S2.ClH.H3N/c1-5-8(4,13(9,10)6-2)14(11,12)7-3;;/h5-7H2,1-4H3;1H;1H3
InChIKeyJRHAKBISQNCYOJ-UHFFFAOYSA-N
XLogP1.57
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze azane;2,2-bis(ethylsulfonyl)butane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane
CID 88521041
bis(2,2-bis(ethylsulfonyl)butane);1,3-dihydro-1,3-diazepin-2-one
CID 173390252
2,2-bis(ethylsulfonyl)-3-methylbutane
CID 87259989
2-aminobutan-2-ol;azane;sulfuric acid
CID 174805988
3-ethylpentane-3-sulfonic acid
CID 20540424
2-methyl-2-methylsulfonylbutane
CID 20813325
3-methyl-3-(3-methylpentan-3-ylsulfonylmethyl)pentane
CID 126735687
2-aminobutan-2-ol;methanesulfonic acid;hydrochloride
CID 174426895
1-ethoxy-1-ethylsulfonyl-1-methoxyethane
CID 87183016
lithium;2,2-dimethylbutane;hydride
CID 174323452
sodium 2-methylbutane-2-sulfonate
CID 175907175
sodium;3-ethylpentane-3-sulfonic acid;hydride
CID 173432345

Frequently Asked Questions

What is the IUPAC name of azane;2,2-bis(ethylsulfonyl)butane;hydrochloride?
The IUPAC name of azane;2,2-bis(ethylsulfonyl)butane;hydrochloride (CID 173418492) is azane;2,2-bis(ethylsulfonyl)butane;hydrochloride.
What is the SMILES notation for azane;2,2-bis(ethylsulfonyl)butane;hydrochloride?
The canonical SMILES for azane;2,2-bis(ethylsulfonyl)butane;hydrochloride is CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC.Cl.N.
What is the InChIKey of azane;2,2-bis(ethylsulfonyl)butane;hydrochloride?
The InChIKey is JRHAKBISQNCYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S2.ClH.H3N/c1-5-8(4,13(9,10)6-2)14(11,12)7-3;;/h5-7H2,1-4H3;1H;1H3.
What are the key properties of azane;2,2-bis(ethylsulfonyl)butane;hydrochloride?
azane;2,2-bis(ethylsulfonyl)butane;hydrochloride has a molecular weight of 295.85 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-bis(ethylsulfonyl)butane;hydrochloride is sourced from PubChem (CID 173418492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).