2-(cyclobutylamino)ethanesulfinic acid

C6H13NO2S — CID 59286119

IUPAC2-(cyclobutylamino)ethanesulfinic acid
SMILESO=S(O)CCNC1CCC1
InChIInChI=1S/C6H13NO2S/c8-10(9)5-4-7-6-2-1-3-6/h6-7H,1-5H2,(H,8,9)
InChIKeyKCWAJQXDFRMECD-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.35
Rot. Bonds4

About 2-(cyclobutylamino)ethanesulfinic acid

2-(cyclobutylamino)ethanesulfinic acid (PubChem CID 59286119) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-(cyclobutylamino)ethanesulfinic acid.

Molecular Properties

Compound Name2-(cyclobutylamino)ethanesulfinic acid
PubChem CID59286119
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-(cyclobutylamino)ethanesulfinic acid
SMILESO=S(O)CCNC1CCC1
InChIInChI=1S/C6H13NO2S/c8-10(9)5-4-7-6-2-1-3-6/h6-7H,1-5H2,(H,8,9)
InChIKeyKCWAJQXDFRMECD-UHFFFAOYSA-N
XLogP0.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.35
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

2-(azepan-3-ylamino)ethanesulfinic acid
CID 84674623
N-(2-ethylsulfinylethyl)cycloheptanamine
CID 115627115
N-(2-cyclopentylsulfinylethyl)cyclopropanamine
CID 64655245
3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine
CID 115720794
N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine
CID 113494628
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
1-[2-(cyclobutylamino)ethyl]-3-methylurea
CID 123788370
4-(cyclobutylamino)-2,2-dimethylbutanoic acid
CID 115221054
N-(chloromethyl)cyclobutanamine
CID 115262784
O-[2-(cyclobutylamino)ethyl]hydroxylamine
CID 117126921
1-(cyclobutylamino)propan-2-one
CID 21335373
CID 130216778
CID 130216778

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)ethanesulfinic acid?
The IUPAC name of 2-(cyclobutylamino)ethanesulfinic acid (CID 59286119) is 2-(cyclobutylamino)ethanesulfinic acid.
What is the SMILES notation for 2-(cyclobutylamino)ethanesulfinic acid?
The canonical SMILES for 2-(cyclobutylamino)ethanesulfinic acid is O=S(O)CCNC1CCC1.
What is the InChIKey of 2-(cyclobutylamino)ethanesulfinic acid?
The InChIKey is KCWAJQXDFRMECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c8-10(9)5-4-7-6-2-1-3-6/h6-7H,1-5H2,(H,8,9).
What are the key properties of 2-(cyclobutylamino)ethanesulfinic acid?
2-(cyclobutylamino)ethanesulfinic acid has a molecular weight of 163.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)ethanesulfinic acid is sourced from PubChem (CID 59286119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).