methane;2-methylbutanoylsulfamic acid

C7H19NO4S — CID 158951754

IUPACmethane;2-methylbutanoylsulfamic acid
SMILESC.C.CCC(C)C(=O)NS(=O)(=O)O
InChIInChI=1S/C5H11NO4S.2CH4/c1-3-4(2)5(7)6-11(8,9)10;;/h4H,3H2,1-2H3,(H,6,7)(H,8,9,10);2*1H4
InChIKeyJLMZWTSQMRPICL-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.22
Rot. Bonds3

About methane;2-methylbutanoylsulfamic acid

methane;2-methylbutanoylsulfamic acid (PubChem CID 158951754) has the molecular formula C7H19NO4S and a molecular weight of 213.30 g/mol. Its IUPAC name is methane;2-methylbutanoylsulfamic acid.

Molecular Properties

Compound Namemethane;2-methylbutanoylsulfamic acid
PubChem CID158951754
Molecular FormulaC7H19NO4S
Molecular Weight213.30 g/mol
Exact Mass213.10
IUPAC Namemethane;2-methylbutanoylsulfamic acid
SMILESC.C.CCC(C)C(=O)NS(=O)(=O)O
InChIInChI=1S/C5H11NO4S.2CH4/c1-3-4(2)5(7)6-11(8,9)10;;/h4H,3H2,1-2H3,(H,6,7)(H,8,9,10);2*1H4
InChIKeyJLMZWTSQMRPICL-UHFFFAOYSA-N
XLogP1.22
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;2-methylbutanoylsulfamic acid?
The IUPAC name of methane;2-methylbutanoylsulfamic acid (CID 158951754) is methane;2-methylbutanoylsulfamic acid.
What is the SMILES notation for methane;2-methylbutanoylsulfamic acid?
The canonical SMILES for methane;2-methylbutanoylsulfamic acid is C.C.CCC(C)C(=O)NS(=O)(=O)O.
What is the InChIKey of methane;2-methylbutanoylsulfamic acid?
The InChIKey is JLMZWTSQMRPICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S.2CH4/c1-3-4(2)5(7)6-11(8,9)10;;/h4H,3H2,1-2H3,(H,6,7)(H,8,9,10);2*1H4.
What are the key properties of methane;2-methylbutanoylsulfamic acid?
methane;2-methylbutanoylsulfamic acid has a molecular weight of 213.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylbutanoylsulfamic acid is sourced from PubChem (CID 158951754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).