N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide

C15H24N2O3S — CID 94797205

IUPACN-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCOc1cccc([C@H]2CCCN2CCCNS(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-20-14-7-3-6-13(12-14)15-8-4-10-17(15)11-5-9-16-21(2,18)19/h3,6-7,12,15-16H,4-5,8-11H2,1-2H3/t15-/m1/s1
InChIKeyCFNKWFWPRLETFR-OAHLLOKOSA-N
MW312.44 g/mol
LogP1.77
Rot. Bonds7

About N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide

N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide (PubChem CID 94797205) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
PubChem CID94797205
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCOc1cccc([C@H]2CCCN2CCCNS(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-20-14-7-3-6-13(12-14)15-8-4-10-17(15)11-5-9-16-21(2,18)19/h3,6-7,12,15-16H,4-5,8-11H2,1-2H3/t15-/m1/s1
InChIKeyCFNKWFWPRLETFR-OAHLLOKOSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 47078002
N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 94795561
N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propyl]methanesulfonamide
CID 52504509
1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine
CID 55923064
N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 71988900
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464
N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide
CID 51313431
CID 174954168
CID 174954168

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide (CID 94797205) is N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide is COc1cccc([C@H]2CCCN2CCCNS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide?
The InChIKey is CFNKWFWPRLETFR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-20-14-7-3-6-13(12-14)15-8-4-10-17(15)11-5-9-16-21(2,18)19/h3,6-7,12,15-16H,4-5,8-11H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide?
N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 94797205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).