3-pyrrolidin-1-ylpropylsulfamic acid

C7H16N2O3S — CID 10149148

IUPAC3-pyrrolidin-1-ylpropylsulfamic acid
SMILESO=S(=O)(O)NCCCN1CCCC1
InChIInChI=1S/C7H16N2O3S/c10-13(11,12)8-4-3-7-9-5-1-2-6-9/h8H,1-7H2,(H,10,11,12)
InChIKeyCTZJELHQXAPOKU-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.14
Rot. Bonds5

About 3-pyrrolidin-1-ylpropylsulfamic acid

3-pyrrolidin-1-ylpropylsulfamic acid (PubChem CID 10149148) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpropylsulfamic acid.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpropylsulfamic acid
PubChem CID10149148
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name3-pyrrolidin-1-ylpropylsulfamic acid
SMILESO=S(=O)(O)NCCCN1CCCC1
InChIInChI=1S/C7H16N2O3S/c10-13(11,12)8-4-3-7-9-5-1-2-6-9/h8H,1-7H2,(H,10,11,12)
InChIKeyCTZJELHQXAPOKU-UHFFFAOYSA-N
XLogP-0.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-pyrrolidin-1-ylpropylsulfamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylpropylsulfamic acid?
The IUPAC name of 3-pyrrolidin-1-ylpropylsulfamic acid (CID 10149148) is 3-pyrrolidin-1-ylpropylsulfamic acid.
What is the SMILES notation for 3-pyrrolidin-1-ylpropylsulfamic acid?
The canonical SMILES for 3-pyrrolidin-1-ylpropylsulfamic acid is O=S(=O)(O)NCCCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylpropylsulfamic acid?
The InChIKey is CTZJELHQXAPOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c10-13(11,12)8-4-3-7-9-5-1-2-6-9/h8H,1-7H2,(H,10,11,12).
What are the key properties of 3-pyrrolidin-1-ylpropylsulfamic acid?
3-pyrrolidin-1-ylpropylsulfamic acid has a molecular weight of 208.28 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpropylsulfamic acid is sourced from PubChem (CID 10149148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).