N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine

C16H29N3O3S — CID 42098570

IUPACN-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine
SMILESCC(C)Cn1c(CN(C)CC2CCOCC2)cnc1S(C)(=O)=O
InChIInChI=1S/C16H29N3O3S/c1-13(2)10-19-15(9-17-16(19)23(4,20)21)12-18(3)11-14-5-7-22-8-6-14/h9,13-14H,5-8,10-12H2,1-4H3
InChIKeyBVVGWXLQBZZVGN-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.80
Rot. Bonds7

About N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine

N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine (PubChem CID 42098570) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine
PubChem CID42098570
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine
SMILESCC(C)Cn1c(CN(C)CC2CCOCC2)cnc1S(C)(=O)=O
InChIInChI=1S/C16H29N3O3S/c1-13(2)10-19-15(9-17-16(19)23(4,20)21)12-18(3)11-14-5-7-22-8-6-14/h9,13-14H,5-8,10-12H2,1-4H3
InChIKeyBVVGWXLQBZZVGN-UHFFFAOYSA-N
XLogP1.80
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine 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

2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 26399203
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
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
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
Sdccgsbi-0117255.P001
CID 42529828
1-(cyclohexylmethyl)-2-(methylsulfonyl)-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 25273953
({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)ethyl(methyl)amine
CID 25273955
N-ethyl-N-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-2-methyl-2-propen-1-amine
CID 25282962
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 28374132
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-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine (CID 42098570) is N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine is CC(C)Cn1c(CN(C)CC2CCOCC2)cnc1S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is BVVGWXLQBZZVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-13(2)10-19-15(9-17-16(19)23(4,20)21)12-18(3)11-14-5-7-22-8-6-14/h9,13-14H,5-8,10-12H2,1-4H3.
What are the key properties of N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine?
N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 343.49 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 42098570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).