5-(cyclohexylamino)pentane-1-sulfonate

C11H22NO3S- — CID 153294232

IUPAC5-(cyclohexylamino)pentane-1-sulfonate
SMILESO=S(=O)([O-])CCCCCNC1CCCCC1
InChIInChI=1S/C11H23NO3S/c13-16(14,15)10-6-2-5-9-12-11-7-3-1-4-8-11/h11-12H,1-10H2,(H,13,14,15)/p-1
InChIKeyCMQYCJBLYCCFFE-UHFFFAOYSA-M
MW248.37 g/mol
LogP1.62
Rot. Bonds7

About 5-(cyclohexylamino)pentane-1-sulfonate

5-(cyclohexylamino)pentane-1-sulfonate (PubChem CID 153294232) has the molecular formula C11H22NO3S- and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(cyclohexylamino)pentane-1-sulfonate.

Molecular Properties

Compound Name5-(cyclohexylamino)pentane-1-sulfonate
PubChem CID153294232
Molecular FormulaC11H22NO3S-
Molecular Weight248.37 g/mol
Exact Mass248.13
IUPAC Name5-(cyclohexylamino)pentane-1-sulfonate
SMILESO=S(=O)([O-])CCCCCNC1CCCCC1
InChIInChI=1S/C11H23NO3S/c13-16(14,15)10-6-2-5-9-12-11-7-3-1-4-8-11/h11-12H,1-10H2,(H,13,14,15)/p-1
InChIKeyCMQYCJBLYCCFFE-UHFFFAOYSA-M
XLogP1.62
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)pentane-1-sulfonate?
The IUPAC name of 5-(cyclohexylamino)pentane-1-sulfonate (CID 153294232) is 5-(cyclohexylamino)pentane-1-sulfonate.
What is the SMILES notation for 5-(cyclohexylamino)pentane-1-sulfonate?
The canonical SMILES for 5-(cyclohexylamino)pentane-1-sulfonate is O=S(=O)([O-])CCCCCNC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)pentane-1-sulfonate?
The InChIKey is CMQYCJBLYCCFFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H23NO3S/c13-16(14,15)10-6-2-5-9-12-11-7-3-1-4-8-11/h11-12H,1-10H2,(H,13,14,15)/p-1.
What are the key properties of 5-(cyclohexylamino)pentane-1-sulfonate?
5-(cyclohexylamino)pentane-1-sulfonate has a molecular weight of 248.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)pentane-1-sulfonate is sourced from PubChem (CID 153294232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).