cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide

C9H15F2NO3S — CID 136589318

IUPACcis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)[C@@H]1[C@@H](C)C1(F)F
InChIInChI=1S/C9H15F2NO3S/c1-5(4-16(3,14)15)12-8(13)7-6(2)9(7,10)11/h5-7H,4H2,1-3H3,(H,12,13)/t5?,6-,7+/m1/s1
InChIKeyRFXBIEHTHGJTJK-FWPZAIACSA-N
MW255.29 g/mol
LogP0.44
Rot. Bonds4

About cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide

cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide (PubChem CID 136589318) has the molecular formula C9H15F2NO3S and a molecular weight of 255.29 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide
PubChem CID136589318
Molecular FormulaC9H15F2NO3S
Molecular Weight255.29 g/mol
Exact Mass255.07
IUPAC Namecis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)[C@@H]1[C@@H](C)C1(F)F
InChIInChI=1S/C9H15F2NO3S/c1-5(4-16(3,14)15)12-8(13)7-6(2)9(7,10)11/h5-7H,4H2,1-3H3,(H,12,13)/t5?,6-,7+/m1/s1
InChIKeyRFXBIEHTHGJTJK-FWPZAIACSA-N
XLogP0.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide (CID 136589318) is cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide is CC(CS(C)(=O)=O)NC(=O)[C@@H]1[C@@H](C)C1(F)F.
What is the InChIKey of cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is RFXBIEHTHGJTJK-FWPZAIACSA-N. The full InChI is InChI=1S/C9H15F2NO3S/c1-5(4-16(3,14)15)12-8(13)7-6(2)9(7,10)11/h5-7H,4H2,1-3H3,(H,12,13)/t5?,6-,7+/m1/s1.
What are the key properties of cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide?
cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 255.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 136589318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).