propylsulfamic acid

C3H9NO3S — CID 14979915

IUPACpropylsulfamic acid
SMILESCCCNS(=O)(=O)O
InChIInChI=1S/C3H9NO3S/c1-2-3-4-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
InChIKeyHLIBNTOXKQCYMV-UHFFFAOYSA-N
MW139.18 g/mol
LogP-0.21
Rot. Bonds3

About propylsulfamic acid

propylsulfamic acid (PubChem CID 14979915) has the molecular formula C3H9NO3S and a molecular weight of 139.18 g/mol. Its IUPAC name is propylsulfamic acid.

Molecular Properties

Compound Namepropylsulfamic acid
PubChem CID14979915
Molecular FormulaC3H9NO3S
Molecular Weight139.18 g/mol
Exact Mass139.03
IUPAC Namepropylsulfamic acid
SMILESCCCNS(=O)(=O)O
InChIInChI=1S/C3H9NO3S/c1-2-3-4-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
InChIKeyHLIBNTOXKQCYMV-UHFFFAOYSA-N
XLogP-0.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-0.21
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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Related Compounds

Butylsulfamic acid
CID 3628384
Ethylsulfamic acid
CID 244259
Isopropylsulfamic acid
CID 65283
N-propylsulfamoyl chloride
CID 13398949
n-Propylsulfamide
CID 13949558
Isopropylamine sulfate
CID 62170
n-propylsulfamide sodium salt
CID 127255792
N-amylsulfamic acid
CID 15894851
Butylammonium hydrogen sulphate
CID 23053896
Propylamine sulfate
CID 46210411
2,2-Dimethylpropylsulfamic acid
CID 54200775
potassium (N-propylsulfamoyl)amide
CID 86276534

Frequently Asked Questions

What is the IUPAC name of propylsulfamic acid?
The IUPAC name of propylsulfamic acid (CID 14979915) is propylsulfamic acid.
What is the SMILES notation for propylsulfamic acid?
The canonical SMILES for propylsulfamic acid is CCCNS(=O)(=O)O.
What is the InChIKey of propylsulfamic acid?
The InChIKey is HLIBNTOXKQCYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S/c1-2-3-4-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7).
What are the key properties of propylsulfamic acid?
propylsulfamic acid has a molecular weight of 139.18 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propylsulfamic acid is sourced from PubChem (CID 14979915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).