1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone

C19H32N2O3S — CID 110365678

IUPAC1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone
SMILESCCCCS(=O)(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H32N2O3S/c1-2-3-8-25(23,24)21-6-4-20(5-7-21)18(22)19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,2-14H2,1H3
InChIKeyFVMMIXLHHDZNKF-UHFFFAOYSA-N
MW368.54 g/mol
LogP2.48
Rot. Bonds5

About 1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone

1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone (PubChem CID 110365678) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone
PubChem CID110365678
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone
SMILESCCCCS(=O)(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H32N2O3S/c1-2-3-8-25(23,24)21-6-4-20(5-7-21)18(22)19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,2-14H2,1H3
InChIKeyFVMMIXLHHDZNKF-UHFFFAOYSA-N
XLogP2.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
CID 110817146
4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide
CID 51074621
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 7471137
1-adamantyl(azepan-1-yl)methanone
CID 2838808
4-butylsulfonylpiperazine-1-carbaldehyde
CID 110755404
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol
CID 75400468
1-butylsulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123967
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108570242
1-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-methylbutan-1-one
CID 110797381
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108536861
1-adamantyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26063053

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone (CID 110365678) is 1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone is CCCCS(=O)(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone?
The InChIKey is FVMMIXLHHDZNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-2-3-8-25(23,24)21-6-4-20(5-7-21)18(22)19-12-15-9-16(13-19)11-17(10-15)14-19/h15-17H,2-14H2,1H3.
What are the key properties of 1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone?
1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone has a molecular weight of 368.54 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-butylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 110365678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).