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

C18H33N3O3S — CID 30881372

IUPACN-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
SMILESCOCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)C1CCCCCC1
InChIInChI=1S/C18H33N3O3S/c1-15(2)20(3)14-16-13-19-18(21(16)11-12-24-4)25(22,23)17-9-7-5-6-8-10-17/h13,15,17H,5-12,14H2,1-4H3
InChIKeyZGCBHBPJLOHYIX-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.87
Rot. Bonds8

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

N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine (PubChem CID 30881372) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
PubChem CID30881372
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC NameN-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
SMILESCOCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)C1CCCCCC1
InChIInChI=1S/C18H33N3O3S/c1-15(2)20(3)14-16-13-19-18(21(16)11-12-24-4)25(22,23)17-9-7-5-6-8-10-17/h13,15,17H,5-12,14H2,1-4H3
InChIKeyZGCBHBPJLOHYIX-UHFFFAOYSA-N
XLogP2.87
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.87
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
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-yl-2-propen-1-amine
CID 28389274
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-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)ethyl(methyl)amine
CID 25273955
({1-butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)isopropyl(methyl)amine
CID 25274212
((2S)-1-{[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-pyrrolidinyl)methanol
CID 25274703
2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}isoxazolidine
CID 25277639
1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}azepane
CID 25280377

Frequently Asked Questions

What is the IUPAC name of N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine (CID 30881372) is N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine is COCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)C1CCCCCC1.
What is the InChIKey of N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is ZGCBHBPJLOHYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-15(2)20(3)14-16-13-19-18(21(16)11-12-24-4)25(22,23)17-9-7-5-6-8-10-17/h13,15,17H,5-12,14H2,1-4H3.
What are the key properties of N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine?
N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 371.55 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 30881372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).