N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine

C15H25N3O3S — CID 45229526

IUPACN,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)Cc1cnc(S(C)(=O)=O)n1CC1CCCO1
InChIInChI=1S/C15H25N3O3S/c1-12(2)9-17(3)10-13-8-16-15(22(4,19)20)18(13)11-14-6-5-7-21-14/h8,14H,1,5-7,9-11H2,2-4H3
InChIKeyORPUXECXZKBXED-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.47
Rot. Bonds7

About N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine

N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine (PubChem CID 45229526) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine
PubChem CID45229526
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)Cc1cnc(S(C)(=O)=O)n1CC1CCCO1
InChIInChI=1S/C15H25N3O3S/c1-12(2)9-17(3)10-13-8-16-15(22(4,19)20)18(13)11-14-6-5-7-21-14/h8,14H,1,5-7,9-11H2,2-4H3
InChIKeyORPUXECXZKBXED-UHFFFAOYSA-N
XLogP1.47
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine 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-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45220977
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 164631836
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
Sdccgsbi-0114908.P001
CID 45252952
1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}azepane
CID 25280377
N-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 28392374

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine (CID 45229526) is N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine is C=C(C)CN(C)Cc1cnc(S(C)(=O)=O)n1CC1CCCO1.
What is the InChIKey of N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine?
The InChIKey is ORPUXECXZKBXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-12(2)9-17(3)10-13-8-16-15(22(4,19)20)18(13)11-14-6-5-7-21-14/h8,14H,1,5-7,9-11H2,2-4H3.
What are the key properties of N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine?
N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine has a molecular weight of 327.45 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 45229526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).