N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide

C9H17F2NOS — CID 163278911

IUPACN-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide
SMILESC=CC(F)(F)C(C)NS(=O)C(C)(C)C
InChIInChI=1S/C9H17F2NOS/c1-6-9(10,11)7(2)12-14(13)8(3,4)5/h6-7,12H,1H2,2-5H3
InChIKeyFUPXRGVJIOXEIO-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.25
Rot. Bonds4

About N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide

N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide (PubChem CID 163278911) has the molecular formula C9H17F2NOS and a molecular weight of 225.30 g/mol. Its IUPAC name is N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide
PubChem CID163278911
Molecular FormulaC9H17F2NOS
Molecular Weight225.30 g/mol
Exact Mass225.10
IUPAC NameN-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide
SMILESC=CC(F)(F)C(C)NS(=O)C(C)(C)C
InChIInChI=1S/C9H17F2NOS/c1-6-9(10,11)7(2)12-14(13)8(3,4)5/h6-7,12H,1H2,2-5H3
InChIKeyFUPXRGVJIOXEIO-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 134857549
(S)-2-methyl-N-[(2S)-1,1,1-trifluorobut-3-en-2-yl]propane-2-sulfinamide
CID 11615546
2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 101399060
(R)-2-methyl-N-[(2R)-1,1,1-trifluorobut-3-en-2-yl]propane-2-sulfinamide
CID 140156780
(S)-2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-1-sulfinamide
CID 140188151
N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide
CID 140762676
(R)-2-methyl-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278136
(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide
CID 163278233
(S)-2-methyl-N-[(4R)-1,1,1-trifluorooct-7-en-4-yl]propane-2-sulfinamide
CID 163278360
(S)-2-methyl-N-[(3R)-1,1,1-trifluorohex-5-en-3-yl]propane-2-sulfinamide
CID 163278402
(S)-2-methyl-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278607
2-methyl-N-(7,7,7-trifluoro-3-methylhept-1-en-4-yl)propane-2-sulfinamide
CID 163278730

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide (CID 163278911) is N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide is C=CC(F)(F)C(C)NS(=O)C(C)(C)C.
What is the InChIKey of N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is FUPXRGVJIOXEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NOS/c1-6-9(10,11)7(2)12-14(13)8(3,4)5/h6-7,12H,1H2,2-5H3.
What are the key properties of N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide?
N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 225.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163278911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).