ethane-1,2-diamine;methanesulfonic acid

C4H16N2O6S2 — CID 71386120

IUPACethane-1,2-diamine;methanesulfonic acid
SMILESCS(=O)(=O)O.CS(=O)(=O)O.NCCN
InChIInChI=1S/C2H8N2.2CH4O3S/c3-1-2-4;2*1-5(2,3)4/h1-4H2;2*1H3,(H,2,3,4)
InChIKeyWAYORRBKWHLVTO-UHFFFAOYSA-N
MW252.31 g/mol
LogP-2.09
Rot. Bonds1

About ethane-1,2-diamine;methanesulfonic acid

ethane-1,2-diamine;methanesulfonic acid (PubChem CID 71386120) has the molecular formula C4H16N2O6S2 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethane-1,2-diamine;methanesulfonic acid.

Molecular Properties

Compound Nameethane-1,2-diamine;methanesulfonic acid
PubChem CID71386120
Molecular FormulaC4H16N2O6S2
Molecular Weight252.31 g/mol
Exact Mass252.04
IUPAC Nameethane-1,2-diamine;methanesulfonic acid
SMILESCS(=O)(=O)O.CS(=O)(=O)O.NCCN
InChIInChI=1S/C2H8N2.2CH4O3S/c3-1-2-4;2*1-5(2,3)4/h1-4H2;2*1H3,(H,2,3,4)
InChIKeyWAYORRBKWHLVTO-UHFFFAOYSA-N
XLogP-2.09
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-(Ethane-1,2-diyl)dimethanesulfonamide
CID 311998
N-(2-aminoethyl)-N-(methylsulfonyl)methanesulfonamide
CID 87429618
1,3-Propanediaminium methanesulfonate
CID 87750921
Ethane-1,2-diamine;methanesulfonic acid
CID 19004885
Butane-1,4-disulfonic acid;ethane-1,2-diamine
CID 22395160
Ethane-1,2-diamine;tetrakis(methanedisulfonic acid)
CID 22492729
N-[2-[bis(methylsulfonyl)amino]ethyl]methanesulfonamide
CID 88374329
1-(Methanesulfonamido)-2-(sulfinatoamino)ethane
CID 89129445
N,N'-dipropylmethanedisulfonamide
CID 90121590
N,N'-diethylmethanedisulfonamide
CID 90121632
N-methylsulfonylmethanesulfonamide;propan-1-amine
CID 118578089
ethanamine;N-ethylmethanesulfonamide;methanesulfonyl chloride
CID 157880123

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;methanesulfonic acid?
The IUPAC name of ethane-1,2-diamine;methanesulfonic acid (CID 71386120) is ethane-1,2-diamine;methanesulfonic acid.
What is the SMILES notation for ethane-1,2-diamine;methanesulfonic acid?
The canonical SMILES for ethane-1,2-diamine;methanesulfonic acid is CS(=O)(=O)O.CS(=O)(=O)O.NCCN.
What is the InChIKey of ethane-1,2-diamine;methanesulfonic acid?
The InChIKey is WAYORRBKWHLVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.2CH4O3S/c3-1-2-4;2*1-5(2,3)4/h1-4H2;2*1H3,(H,2,3,4).
What are the key properties of ethane-1,2-diamine;methanesulfonic acid?
ethane-1,2-diamine;methanesulfonic acid has a molecular weight of 252.31 g/mol, XLogP of -2.09, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;methanesulfonic acid is sourced from PubChem (CID 71386120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).