(1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide

C11H17F3N2O2S — CID 97351031

IUPAC(1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
SMILESCC[C@@H](C#N)S(=O)(=O)N[C@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-2-9(7-15)19(17,18)16-10(11(12,13)14)8-5-3-4-6-8/h8-10,16H,2-6H2,1H3/t9-,10+/m0/s1
InChIKeyBLBRBVNXMHOGLQ-VHSXEESVSA-N
MW298.33 g/mol
LogP2.33
Rot. Bonds5

About (1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide

(1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide (PubChem CID 97351031) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is (1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name(1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
PubChem CID97351031
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name(1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
SMILESCC[C@@H](C#N)S(=O)(=O)N[C@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-2-9(7-15)19(17,18)16-10(11(12,13)14)8-5-3-4-6-8/h8-10,16H,2-6H2,1H3/t9-,10+/m0/s1
InChIKeyBLBRBVNXMHOGLQ-VHSXEESVSA-N
XLogP2.33
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-N-[(1R,3S)-3-methylcyclopentyl]propane-1-sulfonamide
CID 68316105
N-[(1R,3S)-3-ethylcyclopentyl]-3-fluoropropane-1-sulfonamide
CID 70642520
(S)-N-[cyano-(3,3-difluorocyclopentyl)methyl]-2-methylpropane-2-sulfinamide
CID 168174308
N-[cyano-(3,3-difluorocyclopentyl)methyl]-2-methylpropane-2-sulfinamide
CID 168729801
N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide
CID 62962898
1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 75454698
N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058673
N-(2-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059397
N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060110
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068317
N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 84600262
(1S)-1-cyano-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
CID 97351029

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide?
The IUPAC name of (1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide (CID 97351031) is (1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide.
What is the SMILES notation for (1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide?
The canonical SMILES for (1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide is CC[C@@H](C#N)S(=O)(=O)N[C@H](C1CCCC1)C(F)(F)F.
What is the InChIKey of (1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide?
The InChIKey is BLBRBVNXMHOGLQ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-2-9(7-15)19(17,18)16-10(11(12,13)14)8-5-3-4-6-8/h8-10,16H,2-6H2,1H3/t9-,10+/m0/s1.
What are the key properties of (1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide?
(1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide has a molecular weight of 298.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyano-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide is sourced from PubChem (CID 97351031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).