2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide

C9H16F5NOS — CID 164536410

IUPAC2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](CCC(F)(F)F)C(F)F
InChIInChI=1S/C9H16F5NOS/c1-8(2,3)17(16)15-6(7(10)11)4-5-9(12,13)14/h6-7,15H,4-5H2,1-3H3/t6-,17?/m0/s1
InChIKeySESBWCWGXAMPNY-NHZZYWDSSA-N
MW281.29 g/mol
LogP3.01
Rot. Bonds5

About 2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide

2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide (PubChem CID 164536410) has the molecular formula C9H16F5NOS and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide
PubChem CID164536410
Molecular FormulaC9H16F5NOS
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](CCC(F)(F)F)C(F)F
InChIInChI=1S/C9H16F5NOS/c1-8(2,3)17(16)15-6(7(10)11)4-5-9(12,13)14/h6-7,15H,4-5H2,1-3H3/t6-,17?/m0/s1
InChIKeySESBWCWGXAMPNY-NHZZYWDSSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 134964932
N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinamide
CID 21731504
2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide
CID 102258354
2-methyl-N-[(2R)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide
CID 102258356
(S)-N-((R)-1-cyclopropyl-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
CID 56595193
(R)-N-((S)-1-Cyclopropyl-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
CID 56595194
N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
CID 59543142
N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 68669501
C9H16F3Nos
CID 76371182
2-Methyl-propane-2-sulfinic acid ((S)-3,3,3-trifluoro-1,2,2-trimethyl-propyl)-amide
CID 86659432
(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159547
(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159616

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide (CID 164536410) is 2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H](CCC(F)(F)F)C(F)F.
What is the InChIKey of 2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide?
The InChIKey is SESBWCWGXAMPNY-NHZZYWDSSA-N. The full InChI is InChI=1S/C9H16F5NOS/c1-8(2,3)17(16)15-6(7(10)11)4-5-9(12,13)14/h6-7,15H,4-5H2,1-3H3/t6-,17?/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide?
2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide has a molecular weight of 281.29 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 164536410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).