N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide

C17H24N2O3S — CID 71977396

IUPACN-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(=O)C1CC1c1ccccc1C
InChIInChI=1S/C17H24N2O3S/c1-12-6-3-4-8-14(12)15-10-16(15)17(20)19-9-5-7-13(19)11-23(21,22)18-2/h3-4,6,8,13,15-16,18H,5,7,9-11H2,1-2H3
InChIKeyLVSSDOYRLXSXPP-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.64
Rot. Bonds5

About N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide

N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide (PubChem CID 71977396) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide
PubChem CID71977396
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(=O)C1CC1c1ccccc1C
InChIInChI=1S/C17H24N2O3S/c1-12-6-3-4-8-14(12)15-10-16(15)17(20)19-9-5-7-13(19)11-23(21,22)18-2/h3-4,6,8,13,15-16,18H,5,7,9-11H2,1-2H3
InChIKeyLVSSDOYRLXSXPP-UHFFFAOYSA-N
XLogP1.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone
CID 124573529
[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
[(3R)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 100857908
[2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 71930075
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 84588684
1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71862043
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81482768
(2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone
CID 120572372
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119624499
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119647354
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95317608
(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 134055510

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide (CID 71977396) is N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide is CNS(=O)(=O)CC1CCCN1C(=O)C1CC1c1ccccc1C.
What is the InChIKey of N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is LVSSDOYRLXSXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12-6-3-4-8-14(12)15-10-16(15)17(20)19-9-5-7-13(19)11-23(21,22)18-2/h3-4,6,8,13,15-16,18H,5,7,9-11H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide?
N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(2-methylphenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 71977396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).