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

C9H13F2NO3S — CID 90244633

IUPACcis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESCC1(S(=O)(=O)NC(=O)[C@H]2C[C@H]2C(F)F)CC1
InChIInChI=1S/C9H13F2NO3S/c1-9(2-3-9)16(14,15)12-8(13)6-4-5(6)7(10)11/h5-7H,2-4H2,1H3,(H,12,13)/t5-,6+/m1/s1
InChIKeyCMEKBDUVQUBKOW-RITPCOANSA-N
MW253.27 g/mol
LogP0.89
Rot. Bonds4

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

cis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 90244633) has the molecular formula C9H13F2NO3S and a molecular weight of 253.27 g/mol. Its IUPAC name is cis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
PubChem CID90244633
Molecular FormulaC9H13F2NO3S
Molecular Weight253.27 g/mol
Exact Mass253.06
IUPAC Namecis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESCC1(S(=O)(=O)NC(=O)[C@H]2C[C@H]2C(F)F)CC1
InChIInChI=1S/C9H13F2NO3S/c1-9(2-3-9)16(14,15)12-8(13)6-4-5(6)7(10)11/h5-7H,2-4H2,1H3,(H,12,13)/t5-,6+/m1/s1
InChIKeyCMEKBDUVQUBKOW-RITPCOANSA-N
XLogP0.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopropanecarboxamide, 1-amino-2-(difluoromethyl)-N-((1-methylcyclopropyl)sulfonyl)-, (1R,2R)-
CID 66800467
(1R,2R)-1-amino-2-difluoromethyl)-N-(1-methylcyclopropylsulfonyl)cyclo propanecarboxyamide hydrochloride
CID 138111956
(1R,2R)-1-Amino-N-(cyclopropylsulfonyl)-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 57740223
1-amino-N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 57814205
N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 67259780
(1S,2R)-N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 68033107
1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 77169289
(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-fluorocyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 89929569
cis-(1S,2R)-2-(difluoromethyl)-N-(1-fluorocyclopropyl)sulfonyl-1-methylcyclopropane-1-carboxamide
CID 89929573
cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide
CID 90128179
trans-(1R,2R)-1-(chloroamino)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 90277662
cis-(1S,2R)-2-(difluoromethyl)-1-methyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 90442321

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide (CID 90244633) is cis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide is CC1(S(=O)(=O)NC(=O)[C@H]2C[C@H]2C(F)F)CC1.
What is the InChIKey of cis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is CMEKBDUVQUBKOW-RITPCOANSA-N. The full InChI is InChI=1S/C9H13F2NO3S/c1-9(2-3-9)16(14,15)12-8(13)6-4-5(6)7(10)11/h5-7H,2-4H2,1H3,(H,12,13)/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
cis-(1S,2R)-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 0.89, 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)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 90244633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).