3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid

C10H20FNO2S — CID 58691986

IUPAC3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid
SMILESO=S(O)CC(F)CNC1CCCCCC1
InChIInChI=1S/C10H20FNO2S/c11-9(8-15(13)14)7-12-10-5-3-1-2-4-6-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyORECKENCFUGUIK-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.86
Rot. Bonds5

About 3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid

3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid (PubChem CID 58691986) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid
PubChem CID58691986
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid
SMILESO=S(O)CC(F)CNC1CCCCCC1
InChIInChI=1S/C10H20FNO2S/c11-9(8-15(13)14)7-12-10-5-3-1-2-4-6-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyORECKENCFUGUIK-UHFFFAOYSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanethiol, 2-cycloheptylamino-, hydrogen sulfate (ester)
CID 119768
2-(Cyclohexylamino)ethanesulfinic acid
CID 42627234
(2R)-3-(cyclohexylamino)-2-fluoropropane-1-sulfonic acid
CID 11528835
(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
CID 11550355
3-(Cycloheptylamino)-2,2-difluoropropane-1-sulfonic acid
CID 11616013
(2S)-3-(cyclopentylamino)-2-fluoropropane-1-sulfonic acid
CID 15976469
(2S)-3-(cyclohexylamino)-2-fluoropropane-1-sulfinic acid
CID 58691842
(2R)-3-(cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 58691844
3-(Cyclohexylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58691849
3-(Cyclohexylamino)-2-fluoropropane-1-sulfinic acid
CID 58691852
3-(Cyclopentylamino)-2-fluoropropane-1-sulfinic acid
CID 58691853
(2S)-3-(cyclohexylamino)-2-fluoropropane-1-sulfonic acid
CID 58691868

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid?
The IUPAC name of 3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid (CID 58691986) is 3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid.
What is the SMILES notation for 3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid?
The canonical SMILES for 3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid is O=S(O)CC(F)CNC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid?
The InChIKey is ORECKENCFUGUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c11-9(8-15(13)14)7-12-10-5-3-1-2-4-6-10/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of 3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid?
3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid has a molecular weight of 237.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-2-fluoropropane-1-sulfinic acid is sourced from PubChem (CID 58691986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).