2-(cyclooctylamino)ethanesulfonate

C10H20NO3S- — CID 153294230

IUPAC2-(cyclooctylamino)ethanesulfonate
SMILESO=S(=O)([O-])CCNC1CCCCCCC1
InChIInChI=1S/C10H21NO3S/c12-15(13,14)9-8-11-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2,(H,12,13,14)/p-1
InChIKeyGNXXUKIVYFCOND-UHFFFAOYSA-M
MW234.34 g/mol
LogP1.23
Rot. Bonds4

About 2-(cyclooctylamino)ethanesulfonate

2-(cyclooctylamino)ethanesulfonate (PubChem CID 153294230) has the molecular formula C10H20NO3S- and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(cyclooctylamino)ethanesulfonate.

Molecular Properties

Compound Name2-(cyclooctylamino)ethanesulfonate
PubChem CID153294230
Molecular FormulaC10H20NO3S-
Molecular Weight234.34 g/mol
Exact Mass234.12
IUPAC Name2-(cyclooctylamino)ethanesulfonate
SMILESO=S(=O)([O-])CCNC1CCCCCCC1
InChIInChI=1S/C10H21NO3S/c12-15(13,14)9-8-11-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2,(H,12,13,14)/p-1
InChIKeyGNXXUKIVYFCOND-UHFFFAOYSA-M
XLogP1.23
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 115625751
N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine
CID 106512958
N-(3-cyclohexylsulfonylpropyl)cyclohexanamine
CID 106513012
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine
CID 107757330
N-propylcyclohexanamine;sulfuric acid
CID 22994805
N-(2-propan-2-ylsulfonylethyl)cyclobutanamine
CID 106723621
2-(cyclohexylamino)-N-octylethanesulfonamide
CID 45480035
N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine
CID 106513640
N'-cycloundecylethane-1,2-diamine
CID 166845791
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine
CID 91216623
CID 58917870
CID 58917870

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)ethanesulfonate?
The IUPAC name of 2-(cyclooctylamino)ethanesulfonate (CID 153294230) is 2-(cyclooctylamino)ethanesulfonate.
What is the SMILES notation for 2-(cyclooctylamino)ethanesulfonate?
The canonical SMILES for 2-(cyclooctylamino)ethanesulfonate is O=S(=O)([O-])CCNC1CCCCCCC1.
What is the InChIKey of 2-(cyclooctylamino)ethanesulfonate?
The InChIKey is GNXXUKIVYFCOND-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21NO3S/c12-15(13,14)9-8-11-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2,(H,12,13,14)/p-1.
What are the key properties of 2-(cyclooctylamino)ethanesulfonate?
2-(cyclooctylamino)ethanesulfonate has a molecular weight of 234.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)ethanesulfonate is sourced from PubChem (CID 153294230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).