1-[sulfino(trifluoromethyl)amino]butane

C5H10F3NO2S — CID 126619270

IUPAC1-[sulfino(trifluoromethyl)amino]butane
SMILESCCCCN(S(=O)O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-2-3-4-9(12(10)11)5(6,7)8/h2-4H2,1H3,(H,10,11)
InChIKeyLHQSUDQQZXNBLD-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.75
Rot. Bonds4

About 1-[sulfino(trifluoromethyl)amino]butane

1-[sulfino(trifluoromethyl)amino]butane (PubChem CID 126619270) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 1-[sulfino(trifluoromethyl)amino]butane.

Molecular Properties

Compound Name1-[sulfino(trifluoromethyl)amino]butane
PubChem CID126619270
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name1-[sulfino(trifluoromethyl)amino]butane
SMILESCCCCN(S(=O)O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-2-3-4-9(12(10)11)5(6,7)8/h2-4H2,1H3,(H,10,11)
InChIKeyLHQSUDQQZXNBLD-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[Sulfinato(trifluoromethyl)amino]butane
CID 126619269
Methyl(4,4,4-trifluorobutyl)sulfamic acid
CID 147797388
Methyl(3,3,3-trifluoropropyl)sulfamic acid
CID 148820355
2-[Sulfino(trifluoromethyl)amino]propane
CID 57055946
1,1,1,2,2,3,3,4,4-Nonafluoro-6-[methyl(sulfino)amino]hexane
CID 91202132
N-[amino(dihydroxy)-lambda4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine
CID 163275572
1-[Methyl(sulfino)amino]butane
CID 19356907

Frequently Asked Questions

What is the IUPAC name of 1-[sulfino(trifluoromethyl)amino]butane?
The IUPAC name of 1-[sulfino(trifluoromethyl)amino]butane (CID 126619270) is 1-[sulfino(trifluoromethyl)amino]butane.
What is the SMILES notation for 1-[sulfino(trifluoromethyl)amino]butane?
The canonical SMILES for 1-[sulfino(trifluoromethyl)amino]butane is CCCCN(S(=O)O)C(F)(F)F.
What is the InChIKey of 1-[sulfino(trifluoromethyl)amino]butane?
The InChIKey is LHQSUDQQZXNBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-2-3-4-9(12(10)11)5(6,7)8/h2-4H2,1H3,(H,10,11).
What are the key properties of 1-[sulfino(trifluoromethyl)amino]butane?
1-[sulfino(trifluoromethyl)amino]butane has a molecular weight of 205.20 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[sulfino(trifluoromethyl)amino]butane is sourced from PubChem (CID 126619270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).