1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine

C19H30N2O3S — CID 10499156

IUPAC1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
SMILESCOc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1
InChIInChI=1S/C19H30N2O3S/c1-16-8-12-20(13-9-16)14-10-17-5-4-11-21(17)25(22,23)19-7-3-6-18(15-19)24-2/h3,6-7,15-17H,4-5,8-14H2,1-2H3/t17-/m1/s1
InChIKeySIGPAXROBLPQJS-QGZVFWFLSA-N
MW366.53 g/mol
LogP2.97
Rot. Bonds6

About 1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine

1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine (PubChem CID 10499156) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
PubChem CID10499156
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
SMILESCOc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1
InChIInChI=1S/C19H30N2O3S/c1-16-8-12-20(13-9-16)14-10-17-5-4-11-21(17)25(22,23)19-7-3-6-18(15-19)24-2/h3,6-7,15-17H,4-5,8-14H2,1-2H3/t17-/m1/s1
InChIKeySIGPAXROBLPQJS-QGZVFWFLSA-N
XLogP2.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 53361019
4-[1-(3-methoxyphenyl)sulfonylpiperidin-2-yl]butanoic acid
CID 139020353
1-[2-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11853608
(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2215364
N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine
CID 130288052
6-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole
CID 75001014
(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 2215363
methyl 1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 81259925
4-(3-methoxyphenyl)sulfonyl-3-(pyrrolidin-1-ylmethyl)-1,4-thiazepane
CID 90568656
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 87052108
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine (CID 10499156) is 1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine is COc1cccc(S(=O)(=O)N2CCC[C@@H]2CCN2CCC(C)CC2)c1.
What is the InChIKey of 1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The InChIKey is SIGPAXROBLPQJS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-16-8-12-20(13-9-16)14-10-17-5-4-11-21(17)25(22,23)19-7-3-6-18(15-19)24-2/h3,6-7,15-17H,4-5,8-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine has a molecular weight of 366.53 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine is sourced from PubChem (CID 10499156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).