2-(cyclohexylamino)ethanesulfinic acid

C8H17NO2S — CID 42627234

IUPAC2-(cyclohexylamino)ethanesulfinic acid
SMILESO=S(O)CCNC1CCCCC1
InChIInChI=1S/C8H17NO2S/c10-12(11)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11)
InChIKeyBQAZSTQJFIRYED-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.13
Rot. Bonds4

About 2-(cyclohexylamino)ethanesulfinic acid

2-(cyclohexylamino)ethanesulfinic acid (PubChem CID 42627234) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(cyclohexylamino)ethanesulfinic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)ethanesulfinic acid
PubChem CID42627234
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-(cyclohexylamino)ethanesulfinic acid
SMILESO=S(O)CCNC1CCCCC1
InChIInChI=1S/C8H17NO2S/c10-12(11)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11)
InChIKeyBQAZSTQJFIRYED-UHFFFAOYSA-N
XLogP1.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)ethanesulfinic acid?
The IUPAC name of 2-(cyclohexylamino)ethanesulfinic acid (CID 42627234) is 2-(cyclohexylamino)ethanesulfinic acid.
What is the SMILES notation for 2-(cyclohexylamino)ethanesulfinic acid?
The canonical SMILES for 2-(cyclohexylamino)ethanesulfinic acid is O=S(O)CCNC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)ethanesulfinic acid?
The InChIKey is BQAZSTQJFIRYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c10-12(11)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11).
What are the key properties of 2-(cyclohexylamino)ethanesulfinic acid?
2-(cyclohexylamino)ethanesulfinic acid has a molecular weight of 191.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)ethanesulfinic acid is sourced from PubChem (CID 42627234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).