N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine

C20H35N3O3S — CID 45192106

IUPACN-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine
SMILESCN(CCC1CCCCO1)Cc1cnc(S(C)(=O)=O)n1CC1CCCCC1
InChIInChI=1S/C20H35N3O3S/c1-22(12-11-19-10-6-7-13-26-19)16-18-14-21-20(27(2,24)25)23(18)15-17-8-4-3-5-9-17/h14,17,19H,3-13,15-16H2,1-2H3
InChIKeyIURZDCMKSZTWCB-UHFFFAOYSA-N
MW397.59 g/mol
LogP3.26
Rot. Bonds8

About N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine

N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine (PubChem CID 45192106) has the molecular formula C20H35N3O3S and a molecular weight of 397.59 g/mol. Its IUPAC name is N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine
PubChem CID45192106
Molecular FormulaC20H35N3O3S
Molecular Weight397.59 g/mol
Exact Mass397.24
IUPAC NameN-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine
SMILESCN(CCC1CCCCO1)Cc1cnc(S(C)(=O)=O)n1CC1CCCCC1
InChIInChI=1S/C20H35N3O3S/c1-22(12-11-19-10-6-7-13-26-19)16-18-14-21-20(27(2,24)25)23(18)15-17-8-4-3-5-9-17/h14,17,19H,3-13,15-16H2,1-2H3
InChIKeyIURZDCMKSZTWCB-UHFFFAOYSA-N
XLogP3.26
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45220137
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
1-(cyclohexylmethyl)-2-(methylsulfonyl)-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 25273953
1-cyclohexyl-4-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}piperazine
CID 28393918
4-({1-(cyclohexylmethyl)-2-[(2-methoxyethyl)sulfonyl]-1H-imidazol-5-yl}methyl)morpholine
CID 29085530
N-{[1-(3-methoxypropyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(1-piperidinyl)ethanamine
CID 29149768
1-[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}methanamine
CID 30722304
1-[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 42098570
1-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-4-methylpiperidine
CID 42196262
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-ethylethanamine
CID 42197608
1-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}azocane
CID 42455147
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-propanamine
CID 42512918

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine?
The IUPAC name of N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine (CID 45192106) is N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine?
The canonical SMILES for N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine is CN(CCC1CCCCO1)Cc1cnc(S(C)(=O)=O)n1CC1CCCCC1.
What is the InChIKey of N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine?
The InChIKey is IURZDCMKSZTWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3S/c1-22(12-11-19-10-6-7-13-26-19)16-18-14-21-20(27(2,24)25)23(18)15-17-8-4-3-5-9-17/h14,17,19H,3-13,15-16H2,1-2H3.
What are the key properties of N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine?
N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine has a molecular weight of 397.59 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-(oxan-2-yl)ethanamine is sourced from PubChem (CID 45192106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).