N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

C17H26N2O2S — CID 72928433

IUPACN-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)[C@H]1CN(C2Cc3ccccc3C2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C17H26N2O2S/c1-12(2)16-10-19(11-17(16)18-22(3,20)21)15-8-13-6-4-5-7-14(13)9-15/h4-7,12,15-18H,8-11H2,1-3H3/t16-,17+/m1/s1
InChIKeyRNKWRTFPCJQLSQ-SJORKVTESA-N
MW322.47 g/mol
LogP1.66
Rot. Bonds4

About N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 72928433) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID72928433
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)[C@H]1CN(C2Cc3ccccc3C2)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C17H26N2O2S/c1-12(2)16-10-19(11-17(16)18-22(3,20)21)15-8-13-6-4-5-7-14(13)9-15/h4-7,12,15-18H,8-11H2,1-3H3/t16-,17+/m1/s1
InChIKeyRNKWRTFPCJQLSQ-SJORKVTESA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 72928433) is N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is CC(C)[C@H]1CN(C2Cc3ccccc3C2)C[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is RNKWRTFPCJQLSQ-SJORKVTESA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-12(2)16-10-19(11-17(16)18-22(3,20)21)15-8-13-6-4-5-7-14(13)9-15/h4-7,12,15-18H,8-11H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 322.47 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72928433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).