butyl(2-hydroxyethyl)sulfamic acid

C6H15NO4S — CID 134897144

IUPACbutyl(2-hydroxyethyl)sulfamic acid
SMILESCCCCN(CCO)S(=O)(=O)O
InChIInChI=1S/C6H15NO4S/c1-2-3-4-7(5-6-8)12(9,10)11/h8H,2-6H2,1H3,(H,9,10,11)
InChIKeyZYMFVQGRYLSLQT-UHFFFAOYSA-N
MW197.26 g/mol
LogP-0.12
Rot. Bonds6

About butyl(2-hydroxyethyl)sulfamic acid

butyl(2-hydroxyethyl)sulfamic acid (PubChem CID 134897144) has the molecular formula C6H15NO4S and a molecular weight of 197.26 g/mol. Its IUPAC name is butyl(2-hydroxyethyl)sulfamic acid.

Molecular Properties

Compound Namebutyl(2-hydroxyethyl)sulfamic acid
PubChem CID134897144
Molecular FormulaC6H15NO4S
Molecular Weight197.26 g/mol
Exact Mass197.07
IUPAC Namebutyl(2-hydroxyethyl)sulfamic acid
SMILESCCCCN(CCO)S(=O)(=O)O
InChIInChI=1S/C6H15NO4S/c1-2-3-4-7(5-6-8)12(9,10)11/h8H,2-6H2,1H3,(H,9,10,11)
InChIKeyZYMFVQGRYLSLQT-UHFFFAOYSA-N
XLogP-0.12
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

bis(2-[butyl(2-hydroxyethyl)amino]ethanol);sulfuric acid
CID 173031476
2-[butyl(2-hydroxyethyl)amino]ethanol;methanesulfonic acid
CID 131862284
2-[hexadecyl(sulfo)amino]ethanesulfonic acid
CID 22556426
2-[dipropylsulfamoyl(2-hydroxyethyl)amino]ethanol
CID 61233822
4-aminobutyl(propyl)sulfamic acid
CID 21316255
N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 61448329
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972654
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate
CID 54951714
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
pentan-1-ol;sulfuric acid
CID 87844098
N,N-dipentylethanesulfonamide
CID 3453334

Frequently Asked Questions

What is the IUPAC name of butyl(2-hydroxyethyl)sulfamic acid?
The IUPAC name of butyl(2-hydroxyethyl)sulfamic acid (CID 134897144) is butyl(2-hydroxyethyl)sulfamic acid.
What is the SMILES notation for butyl(2-hydroxyethyl)sulfamic acid?
The canonical SMILES for butyl(2-hydroxyethyl)sulfamic acid is CCCCN(CCO)S(=O)(=O)O.
What is the InChIKey of butyl(2-hydroxyethyl)sulfamic acid?
The InChIKey is ZYMFVQGRYLSLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO4S/c1-2-3-4-7(5-6-8)12(9,10)11/h8H,2-6H2,1H3,(H,9,10,11).
What are the key properties of butyl(2-hydroxyethyl)sulfamic acid?
butyl(2-hydroxyethyl)sulfamic acid has a molecular weight of 197.26 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(2-hydroxyethyl)sulfamic acid is sourced from PubChem (CID 134897144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).