trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide

C6H10F2N2O3S — CID 70997542

IUPACtrans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)[C@@]1(N)C[C@H]1C(F)F
InChIInChI=1S/C6H10F2N2O3S/c1-14(12,13)10-5(11)6(9)2-3(6)4(7)8/h3-4H,2,9H2,1H3,(H,10,11)/t3-,6+/m0/s1
InChIKeyQQKKHCAKEZTUQG-BBIVZNJYSA-N
MW228.22 g/mol
LogP-0.96
Rot. Bonds3

About trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide

trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide (PubChem CID 70997542) has the molecular formula C6H10F2N2O3S and a molecular weight of 228.22 g/mol. Its IUPAC name is trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide
PubChem CID70997542
Molecular FormulaC6H10F2N2O3S
Molecular Weight228.22 g/mol
Exact Mass228.04
IUPAC Nametrans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)[C@@]1(N)C[C@H]1C(F)F
InChIInChI=1S/C6H10F2N2O3S/c1-14(12,13)10-5(11)6(9)2-3(6)4(7)8/h3-4H,2,9H2,1H3,(H,10,11)/t3-,6+/m0/s1
InChIKeyQQKKHCAKEZTUQG-BBIVZNJYSA-N
XLogP-0.96
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide (CID 70997542) is trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide is CS(=O)(=O)NC(=O)[C@@]1(N)C[C@H]1C(F)F.
What is the InChIKey of trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide?
The InChIKey is QQKKHCAKEZTUQG-BBIVZNJYSA-N. The full InChI is InChI=1S/C6H10F2N2O3S/c1-14(12,13)10-5(11)6(9)2-3(6)4(7)8/h3-4H,2,9H2,1H3,(H,10,11)/t3-,6+/m0/s1.
What are the key properties of trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide?
trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide has a molecular weight of 228.22 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 70997542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).