N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide

C18H31N3O3S — CID 127697933

IUPACN-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCS(=O)(=O)N1CCN(CC(=O)NCC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C18H31N3O3S/c1-25(23,24)21-4-2-20(3-5-21)12-18(22)19-11-17-15-7-13-6-14(9-15)10-16(17)8-13/h13-17H,2-12H2,1H3,(H,19,22)
InChIKeyQMZUTHGUSRGBRZ-UHFFFAOYSA-N
MW369.53 g/mol
LogP0.75
Rot. Bonds5

About N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide

N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 127697933) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID127697933
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCS(=O)(=O)N1CCN(CC(=O)NCC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C18H31N3O3S/c1-25(23,24)21-4-2-20(3-5-21)12-18(22)19-11-17-15-7-13-6-14(9-15)10-16(17)8-13/h13-17H,2-12H2,1H3,(H,19,22)
InChIKeyQMZUTHGUSRGBRZ-UHFFFAOYSA-N
XLogP0.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128586
N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129107
N-(2-adamantylmethyl)-2-(methylamino)acetamide
CID 120705568
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 41444161
1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 55436806
2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200280
N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 17376167
1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 122008376
N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 63002779
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131944173

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 127697933) is N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide is CS(=O)(=O)N1CCN(CC(=O)NCC2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is QMZUTHGUSRGBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-25(23,24)21-4-2-20(3-5-21)12-18(22)19-11-17-15-7-13-6-14(9-15)10-16(17)8-13/h13-17H,2-12H2,1H3,(H,19,22).
What are the key properties of N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 369.53 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 127697933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).