N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine

C13H25N3O2S — CID 106717653

IUPACN-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H25N3O2S/c1-5-6-14-11-12-15-7-8-16(12)9-10-19(17,18)13(2,3)4/h7-8,14H,5-6,9-11H2,1-4H3
InChIKeyOSZHYIRHMYYANB-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.60
Rot. Bonds7

About N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine

N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine (PubChem CID 106717653) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
PubChem CID106717653
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H25N3O2S/c1-5-6-14-11-12-15-7-8-16(12)9-10-19(17,18)13(2,3)4/h7-8,14H,5-6,9-11H2,1-4H3
InChIKeyOSZHYIRHMYYANB-UHFFFAOYSA-N
XLogP1.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718
3-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 55152521
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 62223037
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62223213
N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 55048615
2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717713
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
N-[(1-ethylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62350841
N-(2-tert-butylsulfonylethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 106723544

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine (CID 106717653) is N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nccn1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is OSZHYIRHMYYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-5-6-14-11-12-15-7-8-16(12)9-10-19(17,18)13(2,3)4/h7-8,14H,5-6,9-11H2,1-4H3.
What are the key properties of N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine?
N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 1.60, 7 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)imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106717653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).