(1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine

C15H23ClN2O3S — CID 97107949

IUPAC(1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine
SMILESCOc1ccc(Cl)cc1[C@@H](C)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-11(14-9-12(16)6-7-15(14)21-2)17-10-13-5-4-8-18(13)22(3,19)20/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3/t11-,13-/m1/s1
InChIKeyZSYZCTDPJCYEST-DGCLKSJQSA-N
MW346.88 g/mol
LogP2.42
Rot. Bonds6

About (1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine

(1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine (PubChem CID 97107949) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine
PubChem CID97107949
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name(1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine
SMILESCOc1ccc(Cl)cc1[C@@H](C)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-11(14-9-12(16)6-7-15(14)21-2)17-10-13-5-4-8-18(13)22(3,19)20/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3/t11-,13-/m1/s1
InChIKeyZSYZCTDPJCYEST-DGCLKSJQSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine with MolForge

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Related Compounds

1-(3-methoxy-4-pyridinyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine
CID 146104312
(1S)-1-[4-[(R)-methylsulfinyl]phenyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine
CID 97107980
3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide
CID 110750237
(1S)-1-[3-(difluoromethoxy)phenyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine
CID 97107956
(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol
CID 103906405
(1R)-1-(1-benzofuran-2-yl)-2-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]propan-1-amine
CID 99776739
2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 112515035
2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 167743860
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 100591301
5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950941
1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 3961449
1-[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991298

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine (CID 97107949) is (1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine is COc1ccc(Cl)cc1[C@@H](C)NC[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of (1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is ZSYZCTDPJCYEST-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-11(14-9-12(16)6-7-15(14)21-2)17-10-13-5-4-8-18(13)22(3,19)20/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine?
(1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 346.88 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-methoxyphenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 97107949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).