1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane

C16H24N2O2S — CID 31110887

IUPAC1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane
SMILESO=S(=O)(N1CCCCCC1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C16H24N2O2S/c19-21(20,17-12-6-1-2-7-13-17)18-14-8-11-16(18)15-9-4-3-5-10-15/h3-5,9-10,16H,1-2,6-8,11-14H2/t16-/m1/s1
InChIKeyWMMMPNRREHXARO-MRXNPFEDSA-N
MW308.45 g/mol
LogP2.94
Rot. Bonds3

About 1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane

1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane (PubChem CID 31110887) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane.

Molecular Properties

Compound Name1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane
PubChem CID31110887
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane
SMILESO=S(=O)(N1CCCCCC1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C16H24N2O2S/c19-21(20,17-12-6-1-2-7-13-17)18-14-8-11-16(18)15-9-4-3-5-10-15/h3-5,9-10,16H,1-2,6-8,11-14H2/t16-/m1/s1
InChIKeyWMMMPNRREHXARO-MRXNPFEDSA-N
XLogP2.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 134022396
1-(4-methyl-2-phenylpiperazin-1-yl)sulfonylazepane
CID 43042480
ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 34052695
phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone
CID 126824892
4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylmorpholine
CID 51335671
(2R)-2-methyl-1-(4-phenylpiperidin-1-yl)sulfonylpiperidine
CID 39699146
N-[(2R)-2-phenylpiperidin-1-yl]sulfonylacetamide
CID 145367631
(2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine
CID 124865657
1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine
CID 95724807
(3S)-1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 95131826
(3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 98752346
(2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine
CID 95710602

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane?
The IUPAC name of 1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane (CID 31110887) is 1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane.
What is the SMILES notation for 1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane?
The canonical SMILES for 1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane is O=S(=O)(N1CCCCCC1)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane?
The InChIKey is WMMMPNRREHXARO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-21(20,17-12-6-1-2-7-13-17)18-14-8-11-16(18)15-9-4-3-5-10-15/h3-5,9-10,16H,1-2,6-8,11-14H2/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane?
1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane has a molecular weight of 308.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane is sourced from PubChem (CID 31110887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).