N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine

C13H23N3O3S — CID 104961691

IUPACN-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c[nH]1
InChIInChI=1S/C13H23N3O3S/c1-4-14-6-12-5-13(7-15-12)20(17,18)16-8-10(2)19-11(3)9-16/h5,7,10-11,14-15H,4,6,8-9H2,1-3H3/t10-,11+
InChIKeyYRRPARRAEZNBGH-PHIMTYICSA-N
MW301.41 g/mol
LogP0.92
Rot. Bonds5

About N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine

N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine (PubChem CID 104961691) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine
PubChem CID104961691
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c[nH]1
InChIInChI=1S/C13H23N3O3S/c1-4-14-6-12-5-13(7-15-12)20(17,18)16-8-10(2)19-11(3)9-16/h5,7,10-11,14-15H,4,6,8-9H2,1-3H3/t10-,11+
InChIKeyYRRPARRAEZNBGH-PHIMTYICSA-N
XLogP0.92
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]-N-methylmethanamine
CID 104961647
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methyl]ethanamine
CID 115562900
N-[[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine
CID 104969117
1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-N-methylmethanamine
CID 103541533
5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106052912
5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide
CID 106075562
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol
CID 113336351
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106084907
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1-methylpyrrol-2-yl]-N-methylmethanamine
CID 104961654
5-(ethylaminomethyl)-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106049758
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 79180625
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine (CID 104961691) is N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine is CCNCc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c[nH]1.
What is the InChIKey of N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine?
The InChIKey is YRRPARRAEZNBGH-PHIMTYICSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-4-14-6-12-5-13(7-15-12)20(17,18)16-8-10(2)19-11(3)9-16/h5,7,10-11,14-15H,4,6,8-9H2,1-3H3/t10-,11+.
What are the key properties of N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine?
N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine has a molecular weight of 301.41 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 104961691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).