(2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide

C10H18F2N2O3S — CID 174164354

IUPAC(2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide
SMILESCCC(C)N1CCC[C@H]1C(=O)NS(=O)(=O)C(F)F
InChIInChI=1S/C10H18F2N2O3S/c1-3-7(2)14-6-4-5-8(14)9(15)13-18(16,17)10(11)12/h7-8,10H,3-6H2,1-2H3,(H,13,15)/t7?,8-/m0/s1
InChIKeyBBFYAVDQCBSIBD-MQWKRIRWSA-N
MW284.33 g/mol
LogP0.92
Rot. Bonds5

About (2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide

(2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide (PubChem CID 174164354) has the molecular formula C10H18F2N2O3S and a molecular weight of 284.33 g/mol. Its IUPAC name is (2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide
PubChem CID174164354
Molecular FormulaC10H18F2N2O3S
Molecular Weight284.33 g/mol
Exact Mass284.10
IUPAC Name(2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide
SMILESCCC(C)N1CCC[C@H]1C(=O)NS(=O)(=O)C(F)F
InChIInChI=1S/C10H18F2N2O3S/c1-3-7(2)14-6-4-5-8(14)9(15)13-18(16,17)10(11)12/h7-8,10H,3-6H2,1-2H3,(H,13,15)/t7?,8-/m0/s1
InChIKeyBBFYAVDQCBSIBD-MQWKRIRWSA-N
XLogP0.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide (CID 174164354) is (2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide is CCC(C)N1CCC[C@H]1C(=O)NS(=O)(=O)C(F)F.
What is the InChIKey of (2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is BBFYAVDQCBSIBD-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18F2N2O3S/c1-3-7(2)14-6-4-5-8(14)9(15)13-18(16,17)10(11)12/h7-8,10H,3-6H2,1-2H3,(H,13,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide?
(2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butan-2-yl-N-(difluoromethylsulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 174164354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).