N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine

C18H33N3O3S — CID 42512918

IUPACN-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
SMILESCOCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C18H33N3O3S/c1-15(2)20(3)13-17-12-19-18(21(17)10-11-24-4)25(22,23)14-16-8-6-5-7-9-16/h12,15-16H,5-11,13-14H2,1-4H3
InChIKeyVPGZDSSKDMPFAU-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.72
Rot. Bonds9

About N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine

N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine (PubChem CID 42512918) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
PubChem CID42512918
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC NameN-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
SMILESCOCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C18H33N3O3S/c1-15(2)20(3)13-17-12-19-18(21(17)10-11-24-4)25(22,23)14-16-8-6-5-7-9-16/h12,15-16H,5-11,13-14H2,1-4H3
InChIKeyVPGZDSSKDMPFAU-UHFFFAOYSA-N
XLogP2.72
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-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
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-yl-2-propen-1-amine
CID 28389274
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
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-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine (CID 42512918) is N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine is COCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is VPGZDSSKDMPFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-15(2)20(3)13-17-12-19-18(21(17)10-11-24-4)25(22,23)14-16-8-6-5-7-9-16/h12,15-16H,5-11,13-14H2,1-4H3.
What are the key properties of N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 371.55 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 42512918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).