hydroxy(propyl)sulfamic acid

C3H9NO4S — CID 54563366

IUPAChydroxy(propyl)sulfamic acid
SMILESCCCN(O)S(=O)(=O)O
InChIInChI=1S/C3H9NO4S/c1-2-3-4(5)9(6,7)8/h5H,2-3H2,1H3,(H,6,7,8)
InChIKeyZSCRDMAYLPFNNF-UHFFFAOYSA-N
MW155.17 g/mol
LogP-0.11
Rot. Bonds3

About hydroxy(propyl)sulfamic acid

hydroxy(propyl)sulfamic acid (PubChem CID 54563366) has the molecular formula C3H9NO4S and a molecular weight of 155.17 g/mol. Its IUPAC name is hydroxy(propyl)sulfamic acid.

Molecular Properties

Compound Namehydroxy(propyl)sulfamic acid
PubChem CID54563366
Molecular FormulaC3H9NO4S
Molecular Weight155.17 g/mol
Exact Mass155.03
IUPAC Namehydroxy(propyl)sulfamic acid
SMILESCCCN(O)S(=O)(=O)O
InChIInChI=1S/C3H9NO4S/c1-2-3-4(5)9(6,7)8/h5H,2-3H2,1H3,(H,6,7,8)
InChIKeyZSCRDMAYLPFNNF-UHFFFAOYSA-N
XLogP-0.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-aminobutyl(propyl)sulfamic acid
CID 21316255
3-[hydroxy(propyl)amino]propane-1-sulfonic acid
CID 23169120
sodium N-heptyl-N-hydroxysulfamate
CID 88783384
N,N-dihexylhexan-1-amine;sulfuric acid
CID 172853690
bis(N,N-dihexylhexan-1-amine);sulfuric acid
CID 71357248
N,N-dipentylethanesulfonamide
CID 3453334
sodium N-propyl-N-sulfocarbamodithioate
CID 23663880
N,N-dimethylpropan-1-amine;propane-1-sulfonic acid
CID 173037314
N,N-dimethylpropan-1-amine;methyl hydrogen sulfate
CID 174895397
bis(N,N-dimethylnonadecan-1-amine);sulfuric acid
CID 175167546
2-[hexadecyl(sulfo)amino]ethanesulfonic acid
CID 22556426
ethanol;silver;sulfuric acid
CID 174392237

Frequently Asked Questions

What is the IUPAC name of hydroxy(propyl)sulfamic acid?
The IUPAC name of hydroxy(propyl)sulfamic acid (CID 54563366) is hydroxy(propyl)sulfamic acid.
What is the SMILES notation for hydroxy(propyl)sulfamic acid?
The canonical SMILES for hydroxy(propyl)sulfamic acid is CCCN(O)S(=O)(=O)O.
What is the InChIKey of hydroxy(propyl)sulfamic acid?
The InChIKey is ZSCRDMAYLPFNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO4S/c1-2-3-4(5)9(6,7)8/h5H,2-3H2,1H3,(H,6,7,8).
What are the key properties of hydroxy(propyl)sulfamic acid?
hydroxy(propyl)sulfamic acid has a molecular weight of 155.17 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(propyl)sulfamic acid is sourced from PubChem (CID 54563366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).