2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one

C14H20N2O4S — CID 81201309

IUPAC2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(N)c(S(=O)(=O)C(C)C(=O)N2CCCC2)c1
InChIInChI=1S/C14H20N2O4S/c1-10(14(17)16-7-3-4-8-16)21(18,19)13-9-11(20-2)5-6-12(13)15/h5-6,9-10H,3-4,7-8,15H2,1-2H3
InChIKeyFHWLTPMXXSDTJV-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.06
Rot. Bonds4

About 2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one

2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 81201309) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID81201309
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(N)c(S(=O)(=O)C(C)C(=O)N2CCCC2)c1
InChIInChI=1S/C14H20N2O4S/c1-10(14(17)16-7-3-4-8-16)21(18,19)13-9-11(20-2)5-6-12(13)15/h5-6,9-10H,3-4,7-8,15H2,1-2H3
InChIKeyFHWLTPMXXSDTJV-UHFFFAOYSA-N
XLogP1.06
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81183690
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CID 81207556
2-(2-amino-5-methoxyphenyl)sulfanyl-1-(azepan-1-yl)propan-1-one
CID 79515202
2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one
CID 62113460
2-(4-aminophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 61369164
2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
CID 113405856
2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfonylbenzoic acid
CID 43117031
N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide
CID 122701248
2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 110316903
2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one
CID 103201252
2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
CID 81185324
N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide
CID 79155990

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one (CID 81201309) is 2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one is COc1ccc(N)c(S(=O)(=O)C(C)C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FHWLTPMXXSDTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10(14(17)16-7-3-4-8-16)21(18,19)13-9-11(20-2)5-6-12(13)15/h5-6,9-10H,3-4,7-8,15H2,1-2H3.
What are the key properties of 2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one?
2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 312.39 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 81201309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).