1-(cyclopentylamino)propane-1-sulfonic acid

C8H17NO3S — CID 157022860

IUPAC1-(cyclopentylamino)propane-1-sulfonic acid
SMILESCCC(NC1CCCC1)S(=O)(=O)O
InChIInChI=1S/C8H17NO3S/c1-2-8(13(10,11)12)9-7-5-3-4-6-7/h7-9H,2-6H2,1H3,(H,10,11,12)
InChIKeyUZMPMJZCZGDYBU-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.14
Rot. Bonds4

About 1-(cyclopentylamino)propane-1-sulfonic acid

1-(cyclopentylamino)propane-1-sulfonic acid (PubChem CID 157022860) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(cyclopentylamino)propane-1-sulfonic acid.

Molecular Properties

Compound Name1-(cyclopentylamino)propane-1-sulfonic acid
PubChem CID157022860
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-(cyclopentylamino)propane-1-sulfonic acid
SMILESCCC(NC1CCCC1)S(=O)(=O)O
InChIInChI=1S/C8H17NO3S/c1-2-8(13(10,11)12)9-7-5-3-4-6-7/h7-9H,2-6H2,1H3,(H,10,11,12)
InChIKeyUZMPMJZCZGDYBU-UHFFFAOYSA-N
XLogP1.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)propane-1-sulfonic acid?
The IUPAC name of 1-(cyclopentylamino)propane-1-sulfonic acid (CID 157022860) is 1-(cyclopentylamino)propane-1-sulfonic acid.
What is the SMILES notation for 1-(cyclopentylamino)propane-1-sulfonic acid?
The canonical SMILES for 1-(cyclopentylamino)propane-1-sulfonic acid is CCC(NC1CCCC1)S(=O)(=O)O.
What is the InChIKey of 1-(cyclopentylamino)propane-1-sulfonic acid?
The InChIKey is UZMPMJZCZGDYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-8(13(10,11)12)9-7-5-3-4-6-7/h7-9H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 1-(cyclopentylamino)propane-1-sulfonic acid?
1-(cyclopentylamino)propane-1-sulfonic acid has a molecular weight of 207.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)propane-1-sulfonic acid is sourced from PubChem (CID 157022860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).