(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide

C10H18F3NOS — CID 72711017

IUPAC(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide
SMILESC=CC[C@@](C)(N[S@@](=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3NOS/c1-6-7-9(5,10(11,12)13)14-16(15)8(2,3)4/h6,14H,1,7H2,2-5H3/t9-,16+/m1/s1
InChIKeyYGSUASKLWCQCRZ-ABKXIKBNSA-N
MW257.32 g/mol
LogP2.94
Rot. Bonds4

About (S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide (PubChem CID 72711017) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is (S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide
PubChem CID72711017
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide
SMILESC=CC[C@@](C)(N[S@@](=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3NOS/c1-6-7-9(5,10(11,12)13)14-16(15)8(2,3)4/h6,14H,1,7H2,2-5H3/t9-,16+/m1/s1
InChIKeyYGSUASKLWCQCRZ-ABKXIKBNSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.94
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
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-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278136
(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-(1,1,1-trifluorohex-5-en-3-yl)propane-2-sulfinamide
CID 167047179
2-methyl-N-[(3R)-1,1,1-trifluorohex-5-en-3-yl]propane-2-sulfinamide
CID 167047187
(S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 125475744
2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide
CID 101399077
2-methyl-N-(1,1,1-trifluoro-2,4-dimethylpent-4-en-2-yl)propane-2-sulfinamide
CID 177479582
2-methyl-N-(1,1,1-trifluoro-2,3-dimethylpent-4-en-2-yl)propane-2-sulfinamide
CID 177537295
2-methyl-N-(1,1,1-trifluoro-2,3,3-trimethylpent-4-en-2-yl)propane-2-sulfinamide
CID 177632326

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide (CID 72711017) is (S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide is C=CC[C@@](C)(N[S@@](=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of (S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide?
The InChIKey is YGSUASKLWCQCRZ-ABKXIKBNSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-6-7-9(5,10(11,12)13)14-16(15)8(2,3)4/h6,14H,1,7H2,2-5H3/t9-,16+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide has a molecular weight of 257.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 72711017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).