3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol

C5H11F3N2O3S — CID 103833978

IUPAC3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCNS(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O3S/c1-2-9-14(12,13)10-3-4(11)5(6,7)8/h4,9-11H,2-3H2,1H3
InChIKeyMBQYXPMIXBTQMV-UHFFFAOYSA-N
MW236.22 g/mol
LogP-0.65
Rot. Bonds5

About 3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol

3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 103833978) has the molecular formula C5H11F3N2O3S and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID103833978
Molecular FormulaC5H11F3N2O3S
Molecular Weight236.22 g/mol
Exact Mass236.04
IUPAC Name3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCNS(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O3S/c1-2-9-14(12,13)10-3-4(11)5(6,7)8/h4,9-11H,2-3H2,1H3
InChIKeyMBQYXPMIXBTQMV-UHFFFAOYSA-N
XLogP-0.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol (CID 103833978) is 3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol is CCNS(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is MBQYXPMIXBTQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O3S/c1-2-9-14(12,13)10-3-4(11)5(6,7)8/h4,9-11H,2-3H2,1H3.
What are the key properties of 3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol?
3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 236.22 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103833978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).