N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide

C6H10F3NO3S — CID 63298386

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC(O)C1CC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)14(12,13)10-3-5(11)4-1-2-4/h4-5,10-11H,1-3H2
InChIKeyWSINSCXXVJFENJ-UHFFFAOYSA-N
MW233.21 g/mol
LogP0.20
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide

N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 63298386) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID63298386
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC(O)C1CC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)14(12,13)10-3-5(11)4-1-2-4/h4-5,10-11H,1-3H2
InChIKeyWSINSCXXVJFENJ-UHFFFAOYSA-N
XLogP0.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(cyclopropylsulfamoylamino)ethanol
CID 114383309
2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide
CID 107651943
N-(2-cyclopropyl-2-hydroxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 63298637
N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide
CID 63297119
N-(2-cyclopentyl-2-hydroxyethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453653
5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294173
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
CID 107343536
N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56764333
1-cyclopropyl-2-(2,2-difluoroethylamino)ethanol
CID 63298404
4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 63294574
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
CID 80685968

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide (CID 63298386) is N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCC(O)C1CC1)C(F)(F)F.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is WSINSCXXVJFENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c7-6(8,9)14(12,13)10-3-5(11)4-1-2-4/h4-5,10-11H,1-3H2.
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 233.21 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 63298386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).