[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone

C17H25N3O4S — CID 119409417

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N)C3)CC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-24-15-2-4-16(5-3-15)25(22,23)20-10-6-13(7-11-20)17(21)19-9-8-14(18)12-19/h2-5,13-14H,6-12,18H2,1H3/t14-/m1/s1
InChIKeyGJQHSEJQPXDCSP-CQSZACIVSA-N
MW367.47 g/mol
LogP0.66
Rot. Bonds4

About [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 119409417) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID119409417
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N)C3)CC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-24-15-2-4-16(5-3-15)25(22,23)20-10-6-13(7-11-20)17(21)19-9-8-14(18)12-19/h2-5,13-14H,6-12,18H2,1H3/t14-/m1/s1
InChIKeyGJQHSEJQPXDCSP-CQSZACIVSA-N
XLogP0.66
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone with MolForge

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Related Compounds

[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576431
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480
azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
[(3R)-3-aminopyrrolidin-1-yl]-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanone;hydrochloride
CID 119411394
methyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40899596
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 119409749
[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 40632286
2-methylpropyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557075
1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9326800

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone (CID 119409417) is [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone is COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N)C3)CC2)cc1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is GJQHSEJQPXDCSP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-24-15-2-4-16(5-3-15)25(22,23)20-10-6-13(7-11-20)17(21)19-9-8-14(18)12-19/h2-5,13-14H,6-12,18H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 367.47 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 119409417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).