N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine

C17H32N4O3S — CID 29149768

IUPACN-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine
SMILESCOCCCn1c(CN(C)CCN2CCCCC2)cnc1S(C)(=O)=O
InChIInChI=1S/C17H32N4O3S/c1-19(11-12-20-8-5-4-6-9-20)15-16-14-18-17(25(3,22)23)21(16)10-7-13-24-2/h14H,4-13,15H2,1-3H3
InChIKeyLVGMWEIGUCOYOY-UHFFFAOYSA-N
MW372.54 g/mol
LogP1.24
Rot. Bonds10

About N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine

N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine (PubChem CID 29149768) has the molecular formula C17H32N4O3S and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine
PubChem CID29149768
Molecular FormulaC17H32N4O3S
Molecular Weight372.54 g/mol
Exact Mass372.22
IUPAC NameN-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine
SMILESCOCCCn1c(CN(C)CCN2CCCCC2)cnc1S(C)(=O)=O
InChIInChI=1S/C17H32N4O3S/c1-19(11-12-20-8-5-4-6-9-20)15-16-14-18-17(25(3,22)23)21(16)10-7-13-24-2/h14H,4-13,15H2,1-3H3
InChIKeyLVGMWEIGUCOYOY-UHFFFAOYSA-N
XLogP1.24
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinol
CID 45216916
Sdccgsbi-0114825.P001
CID 28394144
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-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}azepane
CID 25280377
N-ethyl-N-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-2-methyl-2-propen-1-amine
CID 25282962
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-4-isopropylpiperazine
CID 28309810
4-(1-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)thiomorpholine
CID 28310699
4-{[2-[(2,2-dimethylpropyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 28357901

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine?
The IUPAC name of N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine (CID 29149768) is N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine is COCCCn1c(CN(C)CCN2CCCCC2)cnc1S(C)(=O)=O.
What is the InChIKey of N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine?
The InChIKey is LVGMWEIGUCOYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3S/c1-19(11-12-20-8-5-4-6-9-20)15-16-14-18-17(25(3,22)23)21(16)10-7-13-24-2/h14H,4-13,15H2,1-3H3.
What are the key properties of N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine?
N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine has a molecular weight of 372.54 g/mol, XLogP of 1.24, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine is sourced from PubChem (CID 29149768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).