1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane

Name: 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅H₁₁F₃N₂O₂S — CID 163275006

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane

SMILESCCC(N(C)S(N)(=O)=O)C(F)(F)F

InChIInChI=1S/C5H11F3N2O2S/c1-3-4(5(6,7)8)10(2)13(9,11)12/h4H,3H2,1-2H3,(H2,9,11,12)

InChIKeyGWJWETXSKMIMHI-UHFFFAOYSA-N

MW220.22 g/mol

LogP0.46

Rot. Bonds3

About 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane

1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane (PubChem CID 163275006) has the molecular formula C₅H₁₁F₃N₂O₂S and a molecular weight of 220.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane.

Molecular Properties

Compound Name	1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane
PubChem CID	163275006
Molecular Formula	C₅H₁₁F₃N₂O₂S
Molecular Weight	220.22 g/mol
Exact Mass	220.05
IUPAC Name	1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane
SMILES	CCC(N(C)S(N)(=O)=O)C(F)(F)F
InChI	InChI=1S/C5H11F3N2O2S/c1-3-4(5(6,7)8)10(2)13(9,11)12/h4H,3H2,1-2H3,(H2,9,11,12)
InChIKey	GWJWETXSKMIMHI-UHFFFAOYSA-N
XLogP	0.46
TPSA	63.40 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.22
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane?

The IUPAC name of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane (CID 163275006) is 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane.

What is the SMILES notation for 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane?

The canonical SMILES for 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane is CCC(N(C)S(N)(=O)=O)C(F)(F)F.

What is the InChIKey of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane?

The InChIKey is GWJWETXSKMIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-3-4(5(6,7)8)10(2)13(9,11)12/h4H,3H2,1-2H3,(H2,9,11,12).

What are the key properties of 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane?

1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane has a molecular weight of 220.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]butane is sourced from PubChem (CID 163275006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 163275006 — identifiers, structure, computed properties (public domain)

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