2-methylpropylsulfamic acid

C4H11NO3S — CID 15847245

IUPAC2-methylpropylsulfamic acid
SMILESCC(C)CNS(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-4(2)3-5-9(6,7)8/h4-5H,3H2,1-2H3,(H,6,7,8)
InChIKeyIQQOKNDVBQTTAP-UHFFFAOYSA-N
MW153.20 g/mol
LogP0.03
Rot. Bonds3

About 2-methylpropylsulfamic acid

2-methylpropylsulfamic acid (PubChem CID 15847245) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is 2-methylpropylsulfamic acid.

Molecular Properties

Compound Name2-methylpropylsulfamic acid
PubChem CID15847245
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name2-methylpropylsulfamic acid
SMILESCC(C)CNS(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-4(2)3-5-9(6,7)8/h4-5H,3H2,1-2H3,(H,6,7,8)
InChIKeyIQQOKNDVBQTTAP-UHFFFAOYSA-N
XLogP0.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methylpropylsulfamic acid?
The IUPAC name of 2-methylpropylsulfamic acid (CID 15847245) is 2-methylpropylsulfamic acid.
What is the SMILES notation for 2-methylpropylsulfamic acid?
The canonical SMILES for 2-methylpropylsulfamic acid is CC(C)CNS(=O)(=O)O.
What is the InChIKey of 2-methylpropylsulfamic acid?
The InChIKey is IQQOKNDVBQTTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-4(2)3-5-9(6,7)8/h4-5H,3H2,1-2H3,(H,6,7,8).
What are the key properties of 2-methylpropylsulfamic acid?
2-methylpropylsulfamic acid has a molecular weight of 153.20 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylsulfamic acid is sourced from PubChem (CID 15847245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).