1-methyl-1-(sulfinoamino)cyclobutane

C5H11NO2S — CID 156557765

IUPAC1-methyl-1-(sulfinoamino)cyclobutane
SMILESCC1(NS(=O)O)CCC1
InChIInChI=1S/C5H11NO2S/c1-5(3-2-4-5)6-9(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKeyBLJFVNCUFVTENO-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.66
Rot. Bonds2

About 1-methyl-1-(sulfinoamino)cyclobutane

1-methyl-1-(sulfinoamino)cyclobutane (PubChem CID 156557765) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 1-methyl-1-(sulfinoamino)cyclobutane.

Molecular Properties

Compound Name1-methyl-1-(sulfinoamino)cyclobutane
PubChem CID156557765
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name1-methyl-1-(sulfinoamino)cyclobutane
SMILESCC1(NS(=O)O)CCC1
InChIInChI=1S/C5H11NO2S/c1-5(3-2-4-5)6-9(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKeyBLJFVNCUFVTENO-UHFFFAOYSA-N
XLogP0.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylpentan-2-ylsulfamic acid
CID 87283479
1-Ethyl-1-(sulfinoamino)cyclobutane
CID 89159662
1-Methyl-1-(sulfamoylamino)cyclobutane
CID 115765349
1-Methyl-1-(sulfinatoamino)cyclobutane
CID 156557764
1-Bicyclo[1.1.1]pentanylsulfamic acid
CID 172217973
(1-Methylcyclobutyl)sulfamic acid
CID 175699269
3-Methyl-3-(sulfinoamino)pentane
CID 57106522
2-Methyl-2-(sulfinoamino)pentane
CID 57150465
2-Methyl-2-(sulfinoamino)butane
CID 57282467
N-(1-methylcyclobutyl)sulfamoyl chloride
CID 114958453

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(sulfinoamino)cyclobutane?
The IUPAC name of 1-methyl-1-(sulfinoamino)cyclobutane (CID 156557765) is 1-methyl-1-(sulfinoamino)cyclobutane.
What is the SMILES notation for 1-methyl-1-(sulfinoamino)cyclobutane?
The canonical SMILES for 1-methyl-1-(sulfinoamino)cyclobutane is CC1(NS(=O)O)CCC1.
What is the InChIKey of 1-methyl-1-(sulfinoamino)cyclobutane?
The InChIKey is BLJFVNCUFVTENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5(3-2-4-5)6-9(7)8/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of 1-methyl-1-(sulfinoamino)cyclobutane?
1-methyl-1-(sulfinoamino)cyclobutane has a molecular weight of 149.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(sulfinoamino)cyclobutane is sourced from PubChem (CID 156557765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).