(2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide

C9H16F2N2O3S — CID 162586314

IUPAC(2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide
SMILESC[C@@H](C(F)F)[C@@](C)(N)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H16F2N2O3S/c1-5(7(10)11)9(2,12)8(14)13-17(15,16)6-3-4-6/h5-7H,3-4,12H2,1-2H3,(H,13,14)/t5-,9+/m0/s1
InChIKeyPOQDNPSZGGTWKD-SSDLBLMSSA-N
MW270.30 g/mol
LogP0.21
Rot. Bonds5

About (2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide

(2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide (PubChem CID 162586314) has the molecular formula C9H16F2N2O3S and a molecular weight of 270.30 g/mol. Its IUPAC name is (2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide
PubChem CID162586314
Molecular FormulaC9H16F2N2O3S
Molecular Weight270.30 g/mol
Exact Mass270.08
IUPAC Name(2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide
SMILESC[C@@H](C(F)F)[C@@](C)(N)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H16F2N2O3S/c1-5(7(10)11)9(2,12)8(14)13-17(15,16)6-3-4-6/h5-7H,3-4,12H2,1-2H3,(H,13,14)/t5-,9+/m0/s1
InChIKeyPOQDNPSZGGTWKD-SSDLBLMSSA-N
XLogP0.21
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide?
The IUPAC name of (2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide (CID 162586314) is (2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide.
What is the SMILES notation for (2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide?
The canonical SMILES for (2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide is C[C@@H](C(F)F)[C@@](C)(N)C(=O)NS(=O)(=O)C1CC1.
What is the InChIKey of (2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide?
The InChIKey is POQDNPSZGGTWKD-SSDLBLMSSA-N. The full InChI is InChI=1S/C9H16F2N2O3S/c1-5(7(10)11)9(2,12)8(14)13-17(15,16)6-3-4-6/h5-7H,3-4,12H2,1-2H3,(H,13,14)/t5-,9+/m0/s1.
What are the key properties of (2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide?
(2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide has a molecular weight of 270.30 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-N-cyclopropylsulfonyl-4,4-difluoro-2,3-dimethylbutanamide is sourced from PubChem (CID 162586314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).