(4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone

C19H24N2O3S — CID 108569232

IUPAC(4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
SMILESCCCCS(=O)(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O3S/c1-2-3-15-25(23,24)21-13-11-20(12-14-21)19(22)18-10-6-8-16-7-4-5-9-17(16)18/h4-10H,2-3,11-15H2,1H3
InChIKeyFDNLMZCNZSHRLE-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.73
Rot. Bonds5

About (4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone

(4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone (PubChem CID 108569232) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
PubChem CID108569232
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
SMILESCCCCS(=O)(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O3S/c1-2-3-15-25(23,24)21-13-11-20(12-14-21)19(22)18-10-6-8-16-7-4-5-9-17(16)18/h4-10H,2-3,11-15H2,1H3
InChIKeyFDNLMZCNZSHRLE-UHFFFAOYSA-N
XLogP2.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butylsulfonyl-1,4-diazepan-1-yl)-(2-fluorophenyl)methanone
CID 110798349
1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804849
1-(4-butylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 110364897
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 1072073
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
(2-methylphenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone
CID 110365415
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 4807376
2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one
CID 75418356
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
CID 171154796
naphthalen-1-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778582
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346

Frequently Asked Questions

What is the IUPAC name of (4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone (CID 108569232) is (4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone is CCCCS(=O)(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of (4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is FDNLMZCNZSHRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-2-3-15-25(23,24)21-13-11-20(12-14-21)19(22)18-10-6-8-16-7-4-5-9-17(16)18/h4-10H,2-3,11-15H2,1H3.
What are the key properties of (4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone?
(4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 360.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 108569232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).