N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide

C16H26N2O4S — CID 94795561

IUPACN-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCOc1ccc(OC)c([C@H]2CCCN2CCCNS(C)(=O)=O)c1
InChIInChI=1S/C16H26N2O4S/c1-21-13-7-8-16(22-2)14(12-13)15-6-4-10-18(15)11-5-9-17-23(3,19)20/h7-8,12,15,17H,4-6,9-11H2,1-3H3/t15-/m1/s1
InChIKeyBNNLQMBJPZVDHB-OAHLLOKOSA-N
MW342.46 g/mol
LogP1.78
Rot. Bonds8

About N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide

N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide (PubChem CID 94795561) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
PubChem CID94795561
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCOc1ccc(OC)c([C@H]2CCCN2CCCNS(C)(=O)=O)c1
InChIInChI=1S/C16H26N2O4S/c1-21-13-7-8-16(22-2)14(12-13)15-6-4-10-18(15)11-5-9-17-23(3,19)20/h7-8,12,15,17H,4-6,9-11H2,1-3H3/t15-/m1/s1
InChIKeyBNNLQMBJPZVDHB-OAHLLOKOSA-N
XLogP1.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 94797205
N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propyl]methanesulfonamide
CID 52504509
4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 46666885
4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]butane-1-sulfonic acid
CID 8834922
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 51226739
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8831486
2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 55409373
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 8833875
2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide
CID 8834006
N-(4-bromo-2-fluorophenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 55482757
N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 55482977
N-(2,6-dichlorophenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 24589296

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide (CID 94795561) is N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide is COc1ccc(OC)c([C@H]2CCCN2CCCNS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide?
The InChIKey is BNNLQMBJPZVDHB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-21-13-7-8-16(22-2)14(12-13)15-6-4-10-18(15)11-5-9-17-23(3,19)20/h7-8,12,15,17H,4-6,9-11H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide?
N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 94795561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).