N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide

C16H26N2O3S — CID 95972511

IUPACN-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1
InChIInChI=1S/C16H26N2O3S/c1-13(2)21-9-10-22(19,20)17-15-11-14(3)18(12-15)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyHDBJLAKDZGKDGF-HUUCEWRRSA-N
MW326.46 g/mol
LogP2.00
Rot. Bonds7

About N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide

N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 95972511) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide
PubChem CID95972511
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1
InChIInChI=1S/C16H26N2O3S/c1-13(2)21-9-10-22(19,20)17-15-11-14(3)18(12-15)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyHDBJLAKDZGKDGF-HUUCEWRRSA-N
XLogP2.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide (CID 95972511) is N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1.
What is the InChIKey of N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is HDBJLAKDZGKDGF-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13(2)21-9-10-22(19,20)17-15-11-14(3)18(12-15)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide?
N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 95972511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).