butan-2-yl(2-hydroxyethyl)sulfamic acid

C6H15NO4S — CID 174821070

IUPACbutan-2-yl(2-hydroxyethyl)sulfamic acid
SMILESCCC(C)N(CCO)S(=O)(=O)O
InChIInChI=1S/C6H15NO4S/c1-3-6(2)7(4-5-8)12(9,10)11/h6,8H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyFURNSPLZGJIQDY-UHFFFAOYSA-N
MW197.26 g/mol
LogP-0.12
Rot. Bonds5

About butan-2-yl(2-hydroxyethyl)sulfamic acid

butan-2-yl(2-hydroxyethyl)sulfamic acid (PubChem CID 174821070) has the molecular formula C6H15NO4S and a molecular weight of 197.26 g/mol. Its IUPAC name is butan-2-yl(2-hydroxyethyl)sulfamic acid.

Molecular Properties

Compound Namebutan-2-yl(2-hydroxyethyl)sulfamic acid
PubChem CID174821070
Molecular FormulaC6H15NO4S
Molecular Weight197.26 g/mol
Exact Mass197.07
IUPAC Namebutan-2-yl(2-hydroxyethyl)sulfamic acid
SMILESCCC(C)N(CCO)S(=O)(=O)O
InChIInChI=1S/C6H15NO4S/c1-3-6(2)7(4-5-8)12(9,10)11/h6,8H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyFURNSPLZGJIQDY-UHFFFAOYSA-N
XLogP-0.12
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 5-0.12
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 butan-2-yl(2-hydroxyethyl)sulfamic acid?
The IUPAC name of butan-2-yl(2-hydroxyethyl)sulfamic acid (CID 174821070) is butan-2-yl(2-hydroxyethyl)sulfamic acid.
What is the SMILES notation for butan-2-yl(2-hydroxyethyl)sulfamic acid?
The canonical SMILES for butan-2-yl(2-hydroxyethyl)sulfamic acid is CCC(C)N(CCO)S(=O)(=O)O.
What is the InChIKey of butan-2-yl(2-hydroxyethyl)sulfamic acid?
The InChIKey is FURNSPLZGJIQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO4S/c1-3-6(2)7(4-5-8)12(9,10)11/h6,8H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of butan-2-yl(2-hydroxyethyl)sulfamic acid?
butan-2-yl(2-hydroxyethyl)sulfamic acid has a molecular weight of 197.26 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(2-hydroxyethyl)sulfamic acid is sourced from PubChem (CID 174821070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).