2-methylpropylsulfamic acid;hydrochloride

C4H12ClNO3S — CID 88745474

IUPAC2-methylpropylsulfamic acid;hydrochloride
SMILESCC(C)CNS(=O)(=O)O.Cl
InChIInChI=1S/C4H11NO3S.ClH/c1-4(2)3-5-9(6,7)8;/h4-5H,3H2,1-2H3,(H,6,7,8);1H
InChIKeyNJUYOQLMMQKLRT-UHFFFAOYSA-N
MW189.66 g/mol
LogP0.46
Rot. Bonds3

About 2-methylpropylsulfamic acid;hydrochloride

2-methylpropylsulfamic acid;hydrochloride (PubChem CID 88745474) has the molecular formula C4H12ClNO3S and a molecular weight of 189.66 g/mol. Its IUPAC name is 2-methylpropylsulfamic acid;hydrochloride.

Molecular Properties

Compound Name2-methylpropylsulfamic acid;hydrochloride
PubChem CID88745474
Molecular FormulaC4H12ClNO3S
Molecular Weight189.66 g/mol
Exact Mass189.02
IUPAC Name2-methylpropylsulfamic acid;hydrochloride
SMILESCC(C)CNS(=O)(=O)O.Cl
InChIInChI=1S/C4H11NO3S.ClH/c1-4(2)3-5-9(6,7)8;/h4-5H,3H2,1-2H3,(H,6,7,8);1H
InChIKeyNJUYOQLMMQKLRT-UHFFFAOYSA-N
XLogP0.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.66
LogP ≤ 50.46
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;hydrochloride?
The IUPAC name of 2-methylpropylsulfamic acid;hydrochloride (CID 88745474) is 2-methylpropylsulfamic acid;hydrochloride.
What is the SMILES notation for 2-methylpropylsulfamic acid;hydrochloride?
The canonical SMILES for 2-methylpropylsulfamic acid;hydrochloride is CC(C)CNS(=O)(=O)O.Cl.
What is the InChIKey of 2-methylpropylsulfamic acid;hydrochloride?
The InChIKey is NJUYOQLMMQKLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S.ClH/c1-4(2)3-5-9(6,7)8;/h4-5H,3H2,1-2H3,(H,6,7,8);1H.
What are the key properties of 2-methylpropylsulfamic acid;hydrochloride?
2-methylpropylsulfamic acid;hydrochloride has a molecular weight of 189.66 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylsulfamic acid;hydrochloride is sourced from PubChem (CID 88745474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).