(1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

C21H27N3O5S2 — CID 24585778

IUPAC(1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCCCC1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H27N3O5S2/c1-30(26,27)24-11-5-4-8-20(24)21(25)22-12-14-23(15-13-22)31(28,29)19-10-9-17-6-2-3-7-18(17)16-19/h2-3,6-7,9-10,16,20H,4-5,8,11-15H2,1H3
InChIKeyBPEXMNMMNWXLTP-UHFFFAOYSA-N
MW465.60 g/mol
LogP1.49
Rot. Bonds4

About (1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

(1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 24585778) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID24585778
Molecular FormulaC21H27N3O5S2
Molecular Weight465.60 g/mol
Exact Mass465.14
IUPAC Name(1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCCCC1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H27N3O5S2/c1-30(26,27)24-11-5-4-8-20(24)21(25)22-12-14-23(15-13-22)31(28,29)19-10-9-17-6-2-3-7-18(17)16-19/h2-3,6-7,9-10,16,20H,4-5,8,11-15H2,1H3
InChIKeyBPEXMNMMNWXLTP-UHFFFAOYSA-N
XLogP1.49
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylsulfonylpiperidin-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 24583608
tert-butyl (2S)-2-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 36913333
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone
CID 119265307
(3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119678248
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 124504662
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone
CID 8779612
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 8795472
2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 8583036
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 55955194

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 24585778) is (1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCCCC1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is BPEXMNMMNWXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c1-30(26,27)24-11-5-4-8-20(24)21(25)22-12-14-23(15-13-22)31(28,29)19-10-9-17-6-2-3-7-18(17)16-19/h2-3,6-7,9-10,16,20H,4-5,8,11-15H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
(1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 465.60 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 24585778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).