N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine

C18H33N3O4S — CID 42529828

IUPACN-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine
SMILESCOCCn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C18H33N3O4S/c1-18(2,3)14-26(22,23)17-19-12-16(21(17)8-11-24-5)13-20(4)15-6-9-25-10-7-15/h12,15H,6-11,13-14H2,1-5H3
InChIKeyXNNJFUBWYSPWEG-UHFFFAOYSA-N
MW387.55 g/mol
LogP1.96
Rot. Bonds8

About N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine

N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine (PubChem CID 42529828) has the molecular formula C18H33N3O4S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine
PubChem CID42529828
Molecular FormulaC18H33N3O4S
Molecular Weight387.55 g/mol
Exact Mass387.22
IUPAC NameN-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine
SMILESCOCCn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C18H33N3O4S/c1-18(2,3)14-26(22,23)17-19-12-16(21(17)8-11-24-5)13-20(4)15-6-9-25-10-7-15/h12,15H,6-11,13-14H2,1-5H3
InChIKeyXNNJFUBWYSPWEG-UHFFFAOYSA-N
XLogP1.96
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-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

2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 26399203
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}isoxazolidine
CID 42594408
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
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinol
CID 45216916
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine?
The IUPAC name of N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine (CID 42529828) is N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine is COCCn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)CC(C)(C)C.
What is the InChIKey of N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine?
The InChIKey is XNNJFUBWYSPWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4S/c1-18(2,3)14-26(22,23)17-19-12-16(21(17)8-11-24-5)13-20(4)15-6-9-25-10-7-15/h12,15H,6-11,13-14H2,1-5H3.
What are the key properties of N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine?
N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine has a molecular weight of 387.55 g/mol, XLogP of 1.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 42529828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).