methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine

C10H25N3O8S4 — CID 175934051

IUPACmethylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.CS(=O)(=O)CS(N)(=O)=O.CS(=O)(=O)CS(N)(=O)=O
InChIInChI=1S/C6H11N.2C2H7NO4S2/c1-3-5-7-6-4-2;2*1-8(4,5)2-9(3,6)7/h3-4,7H,1-2,5-6H2;2*2H2,1H3,(H2,3,6,7)
InChIKeyODZGSHQPBCKZDL-UHFFFAOYSA-N
MW443.59 g/mol
LogP-2.50
Rot. Bonds8

About methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine

methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine (PubChem CID 175934051) has the molecular formula C10H25N3O8S4 and a molecular weight of 443.59 g/mol. Its IUPAC name is methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Namemethylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine
PubChem CID175934051
Molecular FormulaC10H25N3O8S4
Molecular Weight443.59 g/mol
Exact Mass443.05
IUPAC Namemethylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.CS(=O)(=O)CS(N)(=O)=O.CS(=O)(=O)CS(N)(=O)=O
InChIInChI=1S/C6H11N.2C2H7NO4S2/c1-3-5-7-6-4-2;2*1-8(4,5)2-9(3,6)7/h3-4,7H,1-2,5-6H2;2*2H2,1H3,(H2,3,6,7)
InChIKeyODZGSHQPBCKZDL-UHFFFAOYSA-N
XLogP-2.50
TPSA200.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 5-2.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine (CID 175934051) is methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine is C=CCNCC=C.CS(=O)(=O)CS(N)(=O)=O.CS(=O)(=O)CS(N)(=O)=O.
What is the InChIKey of methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is ODZGSHQPBCKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.2C2H7NO4S2/c1-3-5-7-6-4-2;2*1-8(4,5)2-9(3,6)7/h3-4,7H,1-2,5-6H2;2*2H2,1H3,(H2,3,6,7).
What are the key properties of methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine?
methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 443.59 g/mol, XLogP of -2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylmethanesulfonamide;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 175934051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).