[2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium

C19H28ClN2OS+ — CID 9293505

IUPAC[2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
SMILESC[NH+](CC(=O)NCC12CC3CC(CC(C3)C1)C2)Cc1ccc(Cl)s1
InChIInChI=1S/C19H27ClN2OS/c1-22(10-16-2-3-17(20)24-16)11-18(23)21-12-19-7-13-4-14(8-19)6-15(5-13)9-19/h2-3,13-15H,4-12H2,1H3,(H,21,23)/p+1
InChIKeyXZLLTVPZNWNPKJ-UHFFFAOYSA-O
MW367.97 g/mol
LogP2.75
Rot. Bonds6

About [2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium

[2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium (PubChem CID 9293505) has the molecular formula C19H28ClN2OS+ and a molecular weight of 367.97 g/mol. Its IUPAC name is [2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
PubChem CID9293505
Molecular FormulaC19H28ClN2OS+
Molecular Weight367.97 g/mol
Exact Mass367.16
IUPAC Name[2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
SMILESC[NH+](CC(=O)NCC12CC3CC(CC(C3)C1)C2)Cc1ccc(Cl)s1
InChIInChI=1S/C19H27ClN2OS/c1-22(10-16-2-3-17(20)24-16)11-18(23)21-12-19-7-13-4-14(8-19)6-15(5-13)9-19/h2-3,13-15H,4-12H2,1H3,(H,21,23)/p+1
InChIKeyXZLLTVPZNWNPKJ-UHFFFAOYSA-O
XLogP2.75
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.97
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-adamantylmethylamino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223781
(5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium
CID 8787296
(5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9294261
(5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8787084
(5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8787229
(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9295679
(5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8787097
[2-(1-adamantylmethylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8905656
(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9294082
N-(1-adamantylmethyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26866780
(5-chlorothiophen-2-yl)methyl-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-methylazanium
CID 8556067
N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 7921336

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium?
The IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium (CID 9293505) is [2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium.
What is the SMILES notation for [2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium?
The canonical SMILES for [2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium is C[NH+](CC(=O)NCC12CC3CC(CC(C3)C1)C2)Cc1ccc(Cl)s1.
What is the InChIKey of [2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium?
The InChIKey is XZLLTVPZNWNPKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27ClN2OS/c1-22(10-16-2-3-17(20)24-16)11-18(23)21-12-19-7-13-4-14(8-19)6-15(5-13)9-19/h2-3,13-15H,4-12H2,1H3,(H,21,23)/p+1.
What are the key properties of [2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium?
[2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium has a molecular weight of 367.97 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylmethylamino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium is sourced from PubChem (CID 9293505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).