N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide

C10H17F3N2O2S — CID 55009455

IUPACN-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCN1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)7-15(9-3-4-9)18(16,17)6-8-2-1-5-14-8/h8-9,14H,1-7H2
InChIKeyPVTCMGFCKWFYBF-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.09
Rot. Bonds5

About N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 55009455) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID55009455
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC NameN-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCN1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)7-15(9-3-4-9)18(16,17)6-8-2-1-5-14-8/h8-9,14H,1-7H2
InChIKeyPVTCMGFCKWFYBF-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide
CID 59651766
(4,4-Difluoropyrrolidin-2-yl)methanesulfonyl fluoride
CID 165870714
2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide
CID 171523782
2-(5,5-Difluoropiperidin-3-yl)-5-methyl-1,2-thiazolidine 1,1-dioxide
CID 171523824
(5R)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide
CID 171523858
2-[(3S)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide
CID 171523869
2-[(3R)-5,5-difluoropiperidin-3-yl]-1,2-thiazolidine 1,1-dioxide
CID 171524139
(5S)-2-[(3R)-5,5-difluoropiperidin-3-yl]-5-methyl-1,2-thiazolidine 1,1-dioxide
CID 176902936
1,1,2,2,3,3,4,4,4-nonafluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]butane-1-sulfonamide
CID 11668061
N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide
CID 55009406
N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 55009454
N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 55009456

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 55009455) is N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide is O=S(=O)(CC1CCCN1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is PVTCMGFCKWFYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)7-15(9-3-4-9)18(16,17)6-8-2-1-5-14-8/h8-9,14H,1-7H2.
What are the key properties of N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 286.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 55009455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).