2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol

C6H13F3N2O3S — CID 114809545

IUPAC2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
SMILESCC(CO)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c1-5(3-12)2-10-15(13,14)11-4-6(7,8)9/h5,10-12H,2-4H2,1H3
InChIKeyKDUSUBFGJUDJGE-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.40
Rot. Bonds6

About 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol

2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol (PubChem CID 114809545) has the molecular formula C6H13F3N2O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
PubChem CID114809545
Molecular FormulaC6H13F3N2O3S
Molecular Weight250.24 g/mol
Exact Mass250.06
IUPAC Name2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
SMILESCC(CO)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c1-5(3-12)2-10-15(13,14)11-4-6(7,8)9/h5,10-12H,2-4H2,1H3
InChIKeyKDUSUBFGJUDJGE-UHFFFAOYSA-N
XLogP-0.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol (CID 114809545) is 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol is CC(CO)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol?
The InChIKey is KDUSUBFGJUDJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O3S/c1-5(3-12)2-10-15(13,14)11-4-6(7,8)9/h5,10-12H,2-4H2,1H3.
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol?
2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol has a molecular weight of 250.24 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol is sourced from PubChem (CID 114809545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).