N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide

C14H22F2N2O3S — CID 128568200

IUPACN-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1S(=O)(=O)CC1CCCC1(F)F
InChIInChI=1S/C14H22F2N2O3S/c15-14(16)7-1-3-10(14)9-22(20,21)18-8-2-4-12(18)13(19)17-11-5-6-11/h10-12H,1-9H2,(H,17,19)
InChIKeyVMXZBAKKHVKBSK-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.49
Rot. Bonds5

About N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide (PubChem CID 128568200) has the molecular formula C14H22F2N2O3S and a molecular weight of 336.40 g/mol. Its IUPAC name is N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide
PubChem CID128568200
Molecular FormulaC14H22F2N2O3S
Molecular Weight336.40 g/mol
Exact Mass336.13
IUPAC NameN-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1S(=O)(=O)CC1CCCC1(F)F
InChIInChI=1S/C14H22F2N2O3S/c15-14(16)7-1-3-10(14)9-22(20,21)18-8-2-4-12(18)13(19)17-11-5-6-11/h10-12H,1-9H2,(H,17,19)
InChIKeyVMXZBAKKHVKBSK-UHFFFAOYSA-N
XLogP1.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopentylsulfamoyl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110345773
N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110418951
N-[[1-(3-fluoropropylsulfonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120023952
N-[2-(ethylsulfonylamino)ethyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 120348160
4,4-difluoro-N-[2-(propan-2-ylsulfamoyl)ethyl]pyrrolidine-2-carboxamide
CID 120349160
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 120349212
N-[2-(cyclobutylmethylsulfamoyl)ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120349855
N-[2-(cyclobutylmethylsulfamoyl)ethyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 120349856
N-(1-cyclopropylsulfonylpiperidin-4-yl)-4,4-difluoropyrrolidine-2-carboxamide
CID 120350753
4,4-difluoro-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 120350875
4,4-difluoro-N-[[2-(methanesulfonamido)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120350948
4,4-difluoro-N-[[2-(methanesulfonamido)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 120350949

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide (CID 128568200) is N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1S(=O)(=O)CC1CCCC1(F)F.
What is the InChIKey of N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide?
The InChIKey is VMXZBAKKHVKBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O3S/c15-14(16)7-1-3-10(14)9-22(20,21)18-8-2-4-12(18)13(19)17-11-5-6-11/h10-12H,1-9H2,(H,17,19).
What are the key properties of N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(2,2-difluorocyclopentyl)methylsulfonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 128568200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).