(2-chloro-2-methylpropyl)sulfamic acid

C4H10ClNO3S — CID 20542147

IUPAC(2-chloro-2-methylpropyl)sulfamic acid
SMILESCC(C)(Cl)CNS(=O)(=O)O
InChIInChI=1S/C4H10ClNO3S/c1-4(2,5)3-6-10(7,8)9/h6H,3H2,1-2H3,(H,7,8,9)
InChIKeyMJDCDMWDHKMHTA-UHFFFAOYSA-N
MW187.65 g/mol
LogP0.40
Rot. Bonds3

About (2-chloro-2-methylpropyl)sulfamic acid

(2-chloro-2-methylpropyl)sulfamic acid (PubChem CID 20542147) has the molecular formula C4H10ClNO3S and a molecular weight of 187.65 g/mol. Its IUPAC name is (2-chloro-2-methylpropyl)sulfamic acid.

Molecular Properties

Compound Name(2-chloro-2-methylpropyl)sulfamic acid
PubChem CID20542147
Molecular FormulaC4H10ClNO3S
Molecular Weight187.65 g/mol
Exact Mass187.01
IUPAC Name(2-chloro-2-methylpropyl)sulfamic acid
SMILESCC(C)(Cl)CNS(=O)(=O)O
InChIInChI=1S/C4H10ClNO3S/c1-4(2,5)3-6-10(7,8)9/h6H,3H2,1-2H3,(H,7,8,9)
InChIKeyMJDCDMWDHKMHTA-UHFFFAOYSA-N
XLogP0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-2-methylpropyl)sulfamic acid?
The IUPAC name of (2-chloro-2-methylpropyl)sulfamic acid (CID 20542147) is (2-chloro-2-methylpropyl)sulfamic acid.
What is the SMILES notation for (2-chloro-2-methylpropyl)sulfamic acid?
The canonical SMILES for (2-chloro-2-methylpropyl)sulfamic acid is CC(C)(Cl)CNS(=O)(=O)O.
What is the InChIKey of (2-chloro-2-methylpropyl)sulfamic acid?
The InChIKey is MJDCDMWDHKMHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO3S/c1-4(2,5)3-6-10(7,8)9/h6H,3H2,1-2H3,(H,7,8,9).
What are the key properties of (2-chloro-2-methylpropyl)sulfamic acid?
(2-chloro-2-methylpropyl)sulfamic acid has a molecular weight of 187.65 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-methylpropyl)sulfamic acid is sourced from PubChem (CID 20542147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).