3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol

C7H15F3N2O3S — CID 114809670

IUPAC3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
SMILESCC(CCO)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-6(2-3-13)4-11-16(14,15)12-5-7(8,9)10/h6,11-13H,2-5H2,1H3
InChIKeyCBSLADNDPIDVIX-UHFFFAOYSA-N
MW264.27 g/mol
LogP-0.01
Rot. Bonds7

About 3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol

3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol (PubChem CID 114809670) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
PubChem CID114809670
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
SMILESCC(CCO)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-6(2-3-13)4-11-16(14,15)12-5-7(8,9)10/h6,11-13H,2-5H2,1H3
InChIKeyCBSLADNDPIDVIX-UHFFFAOYSA-N
XLogP-0.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-N-(4-hydroxy-2-methylbutyl)methanesulfonamide
CID 66108008
1,1,1-trifluoro-N-(4-hydroxy-2-methylbutyl)methanesulfonamide
CID 66108217
N-(2-ethyl-4-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide
CID 80308474
(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 104978086
5-(2,2,2-Trifluoroethylsulfamoylamino)pentan-2-ol
CID 106125965
3,3-Dimethyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 106143789
2,2-Difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 106170328
4-(2,2,2-Trifluoroethylsulfamoylamino)butan-1-ol
CID 106844053
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]pentan-1-ol
CID 113637262
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 114809529
2-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
CID 114809545
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-ol
CID 114809650

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The IUPAC name of 3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol (CID 114809670) is 3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The canonical SMILES for 3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol is CC(CCO)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
The InChIKey is CBSLADNDPIDVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O3S/c1-6(2-3-13)4-11-16(14,15)12-5-7(8,9)10/h6,11-13H,2-5H2,1H3.
What are the key properties of 3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol?
3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol has a molecular weight of 264.27 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol is sourced from PubChem (CID 114809670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).