4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide

C10H19F3N2O3S — CID 83058240

IUPAC4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide
SMILESCN(CC1CNCCO1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3S/c1-15(8-9-7-14-4-5-18-9)19(16,17)6-2-3-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyYSOVQGSENODANT-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.58
Rot. Bonds6

About 4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide

4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide (PubChem CID 83058240) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide
PubChem CID83058240
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide
SMILESCN(CC1CNCCO1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3S/c1-15(8-9-7-14-4-5-18-9)19(16,17)6-2-3-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyYSOVQGSENODANT-UHFFFAOYSA-N
XLogP0.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide (CID 83058240) is 4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide is CN(CC1CNCCO1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide?
The InChIKey is YSOVQGSENODANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-15(8-9-7-14-4-5-18-9)19(16,17)6-2-3-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 83058240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).