butylsulfamic acid

C4H11NO3S — CID 3628384

IUPACbutylsulfamic acid
SMILESCCCCNS(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-2-3-4-5-9(6,7)8/h5H,2-4H2,1H3,(H,6,7,8)
InChIKeyFECFIIXKXJBOSU-UHFFFAOYSA-N
MW153.20 g/mol
LogP0.18
Rot. Bonds4

About butylsulfamic acid

butylsulfamic acid (PubChem CID 3628384) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is butylsulfamic acid.

Molecular Properties

Compound Namebutylsulfamic acid
PubChem CID3628384
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Namebutylsulfamic acid
SMILESCCCCNS(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-2-3-4-5-9(6,7)8/h5H,2-4H2,1H3,(H,6,7,8)
InChIKeyFECFIIXKXJBOSU-UHFFFAOYSA-N
XLogP0.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-butylsulfamide
CID 12355589
Ethylsulfamic acid
CID 244259
Isopropylsulfamic acid
CID 65283
Hexylsulfamic acid
CID 204300
n-Butylsulfamoyl chloride
CID 13544378
Propylsulfamic acid
CID 14979915
N-amylsulfamic acid
CID 15894851
Butylammonium hydrogen sulphate
CID 23053896
Propylamine sulfate
CID 46210411
2,2-Dimethylpropylsulfamic acid
CID 54200775
1-Fluoropropylsulfamic acid
CID 20542120
1-Fluorobutylsulfamic acid
CID 20542132

Frequently Asked Questions

What is the IUPAC name of butylsulfamic acid?
The IUPAC name of butylsulfamic acid (CID 3628384) is butylsulfamic acid.
What is the SMILES notation for butylsulfamic acid?
The canonical SMILES for butylsulfamic acid is CCCCNS(=O)(=O)O.
What is the InChIKey of butylsulfamic acid?
The InChIKey is FECFIIXKXJBOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-2-3-4-5-9(6,7)8/h5H,2-4H2,1H3,(H,6,7,8).
What are the key properties of butylsulfamic acid?
butylsulfamic acid has a molecular weight of 153.20 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfamic acid is sourced from PubChem (CID 3628384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).