N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide

C15H24N2O2S — CID 95632847

IUPACN-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCc1ccccc1[C@@H]1C[C@@H](C)N(CCNS(C)(=O)=O)C1
InChIInChI=1S/C15H24N2O2S/c1-12-6-4-5-7-15(12)14-10-13(2)17(11-14)9-8-16-20(3,18)19/h4-7,13-14,16H,8-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyVGDFJOOUFSXBHI-ZIAGYGMSSA-N
MW296.44 g/mol
LogP1.72
Rot. Bonds5

About N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide

N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide (PubChem CID 95632847) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
PubChem CID95632847
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCc1ccccc1[C@@H]1C[C@@H](C)N(CCNS(C)(=O)=O)C1
InChIInChI=1S/C15H24N2O2S/c1-12-6-4-5-7-15(12)14-10-13(2)17(11-14)9-8-16-20(3,18)19/h4-7,13-14,16H,8-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyVGDFJOOUFSXBHI-ZIAGYGMSSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide (CID 95632847) is N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide is Cc1ccccc1[C@@H]1C[C@@H](C)N(CCNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is VGDFJOOUFSXBHI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-6-4-5-7-15(12)14-10-13(2)17(11-14)9-8-16-20(3,18)19/h4-7,13-14,16H,8-11H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide?
N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 95632847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).