cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

C10H15F2NO3S — CID 90442321

IUPACcis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESCC1(S(=O)(=O)NC(=O)[C@@]2(C)C[C@H]2C(F)F)CC1
InChIInChI=1S/C10H15F2NO3S/c1-9(3-4-9)17(15,16)13-8(14)10(2)5-6(10)7(11)12/h6-7H,3-5H2,1-2H3,(H,13,14)/t6-,10-/m0/s1
InChIKeyGCHIQMIOYNXFMR-WKEGUHRASA-N
MW267.30 g/mol
LogP1.28
Rot. Bonds4

About cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 90442321) has the molecular formula C10H15F2NO3S and a molecular weight of 267.30 g/mol. Its IUPAC name is cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
PubChem CID90442321
Molecular FormulaC10H15F2NO3S
Molecular Weight267.30 g/mol
Exact Mass267.07
IUPAC Namecis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESCC1(S(=O)(=O)NC(=O)[C@@]2(C)C[C@H]2C(F)F)CC1
InChIInChI=1S/C10H15F2NO3S/c1-9(3-4-9)17(15,16)13-8(14)10(2)5-6(10)7(11)12/h6-7H,3-5H2,1-2H3,(H,13,14)/t6-,10-/m0/s1
InChIKeyGCHIQMIOYNXFMR-WKEGUHRASA-N
XLogP1.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide (CID 90442321) is cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide is CC1(S(=O)(=O)NC(=O)[C@@]2(C)C[C@H]2C(F)F)CC1.
What is the InChIKey of cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is GCHIQMIOYNXFMR-WKEGUHRASA-N. The full InChI is InChI=1S/C10H15F2NO3S/c1-9(3-4-9)17(15,16)13-8(14)10(2)5-6(10)7(11)12/h6-7H,3-5H2,1-2H3,(H,13,14)/t6-,10-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 90442321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).