2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide

C10H18F3NOS — CID 101399077

IUPAC2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide
SMILESC=CC(C)[C@H](NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3NOS/c1-6-7(2)8(10(11,12)13)14-16(15)9(3,4)5/h6-8,14H,1H2,2-5H3/t7?,8-,16?/m0/s1
InChIKeyRABKQODDHBXPRZ-NAPXQJNSSA-N
MW257.32 g/mol
LogP2.79
Rot. Bonds4

About 2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide

2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide (PubChem CID 101399077) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide
PubChem CID101399077
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide
SMILESC=CC(C)[C@H](NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3NOS/c1-6-7(2)8(10(11,12)13)14-16(15)9(3,4)5/h6-8,14H,1H2,2-5H3/t7?,8-,16?/m0/s1
InChIKeyRABKQODDHBXPRZ-NAPXQJNSSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide (CID 101399077) is 2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide is C=CC(C)[C@H](NS(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide?
The InChIKey is RABKQODDHBXPRZ-NAPXQJNSSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-6-7(2)8(10(11,12)13)14-16(15)9(3,4)5/h6-8,14H,1H2,2-5H3/t7?,8-,16?/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide?
2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide has a molecular weight of 257.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylpent-4-en-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 101399077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).