N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine

C20H36N4O3S — CID 25287586

IUPACN-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(CCCN1CCOCC1)Cc1cnc(S(C)(=O)=O)n1CC1CCCCC1
InChIInChI=1S/C20H36N4O3S/c1-22(9-6-10-23-11-13-27-14-12-23)17-19-15-21-20(28(2,25)26)24(19)16-18-7-4-3-5-8-18/h15,18H,3-14,16-17H2,1-2H3
InChIKeyDSKGNUJMKCGIEA-UHFFFAOYSA-N
MW412.60 g/mol
LogP2.02
Rot. Bonds9

About N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine

N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 25287586) has the molecular formula C20H36N4O3S and a molecular weight of 412.60 g/mol. Its IUPAC name is N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine
PubChem CID25287586
Molecular FormulaC20H36N4O3S
Molecular Weight412.60 g/mol
Exact Mass412.25
IUPAC NameN-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(CCCN1CCOCC1)Cc1cnc(S(C)(=O)=O)n1CC1CCCCC1
InChIInChI=1S/C20H36N4O3S/c1-22(9-6-10-23-11-13-27-14-12-23)17-19-15-21-20(28(2,25)26)24(19)16-18-7-4-3-5-8-18/h15,18H,3-14,16-17H2,1-2H3
InChIKeyDSKGNUJMKCGIEA-UHFFFAOYSA-N
XLogP2.02
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}octahydropyrrolo[1,2-a]pyrazine
CID 45183265
1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinecarboxamide
CID 45199276
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45220137
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-yl-2-propen-1-amine
CID 28389274
1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 119109776
N-methyl-1-(1-methyl-1H-imidazol-5-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 129615880
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
4-{[2-[(2,2-dimethylpropyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-dimethylpiperazine
CID 45173309
1-(cyclohexylmethyl)-2-(methylsulfonyl)-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 25273953

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine (CID 25287586) is N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine is CN(CCCN1CCOCC1)Cc1cnc(S(C)(=O)=O)n1CC1CCCCC1.
What is the InChIKey of N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is DSKGNUJMKCGIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3S/c1-22(9-6-10-23-11-13-27-14-12-23)17-19-15-21-20(28(2,25)26)24(19)16-18-7-4-3-5-8-18/h15,18H,3-14,16-17H2,1-2H3.
What are the key properties of N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine?
N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 412.60 g/mol, XLogP of 2.02, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 25287586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).