(1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine

C20H22N2O3S — CID 25265048

IUPAC(1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cccn2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O3S/c1-16(17-8-6-10-19(14-17)25-2)21-15-18-9-7-13-22(18)26(23,24)20-11-4-3-5-12-20/h3-14,16,21H,15H2,1-2H3/t16-/m1/s1
InChIKeySOWWEPBYESBCRJ-MRXNPFEDSA-N
MW370.47 g/mol
LogP3.58
Rot. Bonds7

About (1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine

(1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 25265048) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is (1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID25265048
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name(1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cccn2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O3S/c1-16(17-8-6-10-19(14-17)25-2)21-15-18-9-7-13-22(18)26(23,24)20-11-4-3-5-12-20/h3-14,16,21H,15H2,1-2H3/t16-/m1/s1
InChIKeySOWWEPBYESBCRJ-MRXNPFEDSA-N
XLogP3.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(3-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 25264906
1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine
CID 95760565
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43204723
(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28668693
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]benzoic acid
CID 81354482
2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103258081
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 66133621
(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376063
(1S)-N-[(2,6-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376003

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine (CID 25265048) is (1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@@H](C)NCc2cccn2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of (1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is SOWWEPBYESBCRJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-16(17-8-6-10-19(14-17)25-2)21-15-18-9-7-13-22(18)26(23,24)20-11-4-3-5-12-20/h3-14,16,21H,15H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine?
(1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 370.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 25265048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).