1-naphthalen-1-ylsulfonylpiperazine

C14H16N2O2S — CID 42626101

IUPAC1-naphthalen-1-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCNCC1
InChIInChI=1S/C14H16N2O2S/c17-19(18,16-10-8-15-9-11-16)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,15H,8-11H2
InChIKeyRVYNIGCPJXKLSE-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.43
Rot. Bonds2

About 1-naphthalen-1-ylsulfonylpiperazine

1-naphthalen-1-ylsulfonylpiperazine (PubChem CID 42626101) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfonylpiperazine
PubChem CID42626101
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-naphthalen-1-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCNCC1
InChIInChI=1S/C14H16N2O2S/c17-19(18,16-10-8-15-9-11-16)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,15H,8-11H2
InChIKeyRVYNIGCPJXKLSE-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloronaphthalen-1-yl)sulfonylpiperazine
CID 54106854
8-piperazin-1-ylsulfonylisoquinoline
CID 86157701
1-(5-methylnaphthalen-1-yl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 158195809
4-naphthalen-1-ylsulfonylpiperazine-2,6-dione
CID 114795554
1-anthracen-9-ylsulfonylpiperazine
CID 4738870
1-chloro-5-piperazin-1-ylsulfonylisoquinoline
CID 22393159
(2S)-2-methyl-1-naphthalen-1-ylsulfonylpiperazine;hydrochloride
CID 120717041
1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine
CID 176668113
1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole
CID 10113365
5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine
CID 14098042
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride
CID 119963237

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfonylpiperazine?
The IUPAC name of 1-naphthalen-1-ylsulfonylpiperazine (CID 42626101) is 1-naphthalen-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-naphthalen-1-ylsulfonylpiperazine?
The canonical SMILES for 1-naphthalen-1-ylsulfonylpiperazine is O=S(=O)(c1cccc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-naphthalen-1-ylsulfonylpiperazine?
The InChIKey is RVYNIGCPJXKLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-19(18,16-10-8-15-9-11-16)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,15H,8-11H2.
What are the key properties of 1-naphthalen-1-ylsulfonylpiperazine?
1-naphthalen-1-ylsulfonylpiperazine has a molecular weight of 276.36 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfonylpiperazine is sourced from PubChem (CID 42626101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).