2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide

C14H28F3NOS — CID 102258354

IUPAC2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide
SMILESCCCCCCCC[C@H](NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H28F3NOS/c1-5-6-7-8-9-10-11-12(14(15,16)17)18-20(19)13(2,3)4/h12,18H,5-11H2,1-4H3/t12-,20?/m0/s1
InChIKeyDPCLZHWZMJXLKT-SVZXGPMESA-N
MW315.45 g/mol
LogP4.72
Rot. Bonds9

About 2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide

2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide (PubChem CID 102258354) has the molecular formula C14H28F3NOS and a molecular weight of 315.45 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide
PubChem CID102258354
Molecular FormulaC14H28F3NOS
Molecular Weight315.45 g/mol
Exact Mass315.18
IUPAC Name2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide
SMILESCCCCCCCC[C@H](NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H28F3NOS/c1-5-6-7-8-9-10-11-12(14(15,16)17)18-20(19)13(2,3)4/h12,18H,5-11H2,1-4H3/t12-,20?/m0/s1
InChIKeyDPCLZHWZMJXLKT-SVZXGPMESA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 11369654
N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 134920322
2-methyl-N-[(2R)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide
CID 102258356
N-dodecyl-1,1-difluoroethanesulfonamide
CID 58435959
N-[1-(2,2-difluorocyclohexyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 117761743
N-[(2S)-1-(4,4-difluorocyclohexyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 117762255
(R)-N-[(2S)-1-(4,4-difluorocyclohexyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 117762256
N-[1-(4,4-difluorocyclohexyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 117762257
2-methyl-N-(4,4,4-trifluorobutan-2-yl)propane-2-sulfinamide
CID 138544228
2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide
CID 138544531
(S)-2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide
CID 138554176
(S)-2-methyl-N-[(2S)-1,1,1-trifluorohexan-2-yl]propane-1-sulfinamide
CID 140188169

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide (CID 102258354) is 2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide is CCCCCCCC[C@H](NS(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide?
The InChIKey is DPCLZHWZMJXLKT-SVZXGPMESA-N. The full InChI is InChI=1S/C14H28F3NOS/c1-5-6-7-8-9-10-11-12(14(15,16)17)18-20(19)13(2,3)4/h12,18H,5-11H2,1-4H3/t12-,20?/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide?
2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide has a molecular weight of 315.45 g/mol, XLogP of 4.72, 9 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-trifluorodecan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 102258354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).