1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide

C8H14F3NO5S2 — CID 103833962

IUPAC1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO5S2/c9-8(10,11)7(13)5-12-19(16,17)6-1-3-18(14,15)4-2-6/h6-7,12-13H,1-5H2
InChIKeyHGJHWAPPCTYWCF-UHFFFAOYSA-N
MW325.33 g/mol
LogP-0.59
Rot. Bonds4

About 1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide

1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide (PubChem CID 103833962) has the molecular formula C8H14F3NO5S2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide
PubChem CID103833962
Molecular FormulaC8H14F3NO5S2
Molecular Weight325.33 g/mol
Exact Mass325.03
IUPAC Name1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO5S2/c9-8(10,11)7(13)5-12-19(16,17)6-1-3-18(14,15)4-2-6/h6-7,12-13H,1-5H2
InChIKeyHGJHWAPPCTYWCF-UHFFFAOYSA-N
XLogP-0.59
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide
CID 113242615
N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide
CID 83030738
3-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpropanethioamide
CID 55102041
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
N-ethyl-1,1-dioxothiane-4-sulfonamide
CID 62086014
N-(4-chloro-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 66091585
4-[(1,1-dioxothian-4-yl)sulfonylamino]-3-methoxybutanoic acid
CID 103153587
N-(2-bromoethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084947
N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 65113264
1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide
CID 62734059
N-(cyanomethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084754
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543941

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide?
The IUPAC name of 1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide (CID 103833962) is 1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NCC(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide?
The InChIKey is HGJHWAPPCTYWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO5S2/c9-8(10,11)7(13)5-12-19(16,17)6-1-3-18(14,15)4-2-6/h6-7,12-13H,1-5H2.
What are the key properties of 1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide?
1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide has a molecular weight of 325.33 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide is sourced from PubChem (CID 103833962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).