N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine

C14H26N2O3S — CID 106717702

IUPACN-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccn1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H26N2O3S/c1-14(2,3)20(17,18)11-9-16-8-5-6-13(16)12-15-7-10-19-4/h5-6,8,15H,7,9-12H2,1-4H3
InChIKeyKDQVGQADSXHUQD-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.44
Rot. Bonds8

About N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine

N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 106717702) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
PubChem CID106717702
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccn1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H26N2O3S/c1-14(2,3)20(17,18)11-9-16-8-5-6-13(16)12-15-7-10-19-4/h5-6,8,15H,7,9-12H2,1-4H3
InChIKeyKDQVGQADSXHUQD-UHFFFAOYSA-N
XLogP1.44
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine 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

N-[[1-(3,3-dimethylbutyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401868
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol
CID 106717193
3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
CID 66402058
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
CID 66402644
2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 103005538
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66401085
N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 113405048
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
CID 66402534
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine
CID 103181721
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66403032

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine (CID 106717702) is N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1cccn1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is KDQVGQADSXHUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-14(2,3)20(17,18)11-9-16-8-5-6-13(16)12-15-7-10-19-4/h5-6,8,15H,7,9-12H2,1-4H3.
What are the key properties of N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine?
N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 302.44 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106717702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).