2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol

C8H17F3N2O3S — CID 106157205

IUPAC2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
SMILESCC(CO)CCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O3S/c1-7(5-14)3-2-4-12-17(15,16)13-6-8(9,10)11/h7,12-14H,2-6H2,1H3
InChIKeyOQJWLQMNFPXVPB-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.38
Rot. Bonds8

About 2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol

2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol (PubChem CID 106157205) has the molecular formula C8H17F3N2O3S and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
PubChem CID106157205
Molecular FormulaC8H17F3N2O3S
Molecular Weight278.30 g/mol
Exact Mass278.09
IUPAC Name2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol
SMILESCC(CO)CCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O3S/c1-7(5-14)3-2-4-12-17(15,16)13-6-8(9,10)11/h7,12-14H,2-6H2,1H3
InChIKeyOQJWLQMNFPXVPB-UHFFFAOYSA-N
XLogP0.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol (CID 106157205) is 2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol is CC(CO)CCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
The InChIKey is OQJWLQMNFPXVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O3S/c1-7(5-14)3-2-4-12-17(15,16)13-6-8(9,10)11/h7,12-14H,2-6H2,1H3.
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol?
2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol has a molecular weight of 278.30 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pentan-1-ol is sourced from PubChem (CID 106157205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).