2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane

Name: 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅H₁₂F₃N₃O₂S — CID 107493881

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

IUPAC2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane

SMILESCNS(=O)(=O)N(CCN)CC(F)(F)F

InChIInChI=1S/C5H12F3N3O2S/c1-10-14(12,13)11(3-2-9)4-5(6,7)8/h10H,2-4,9H2,1H3

InChIKeySJVLNVWKHNFUDD-UHFFFAOYSA-N

MW235.23 g/mol

LogP-0.73

Rot. Bonds5

About 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane

2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane (PubChem CID 107493881) has the molecular formula C₅H₁₂F₃N₃O₂S and a molecular weight of 235.23 g/mol. Its IUPAC name is 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name	2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
PubChem CID	107493881
Molecular Formula	C₅H₁₂F₃N₃O₂S
Molecular Weight	235.23 g/mol
Exact Mass	235.06
IUPAC Name	2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
SMILES	CNS(=O)(=O)N(CCN)CC(F)(F)F
InChI	InChI=1S/C5H12F3N3O2S/c1-10-14(12,13)11(3-2-9)4-5(6,7)8/h10H,2-4,9H2,1H3
InChIKey	SJVLNVWKHNFUDD-UHFFFAOYSA-N
XLogP	-0.73
TPSA	75.43 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.23
LogP ≤ 5	-0.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane?

The IUPAC name of 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane (CID 107493881) is 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane.

What is the SMILES notation for 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane?

The canonical SMILES for 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane is CNS(=O)(=O)N(CCN)CC(F)(F)F.

What is the InChIKey of 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane?

The InChIKey is SJVLNVWKHNFUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F3N3O2S/c1-10-14(12,13)11(3-2-9)4-5(6,7)8/h10H,2-4,9H2,1H3.

What are the key properties of 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane?

2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane has a molecular weight of 235.23 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane is sourced from PubChem (CID 107493881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 107493881 — identifiers, structure, computed properties (public domain)

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