(3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride

C20H26ClN3O3S — CID 119678248

IUPAC(3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1
InChIInChI=1S/C20H25N3O3S.ClH/c21-18-7-5-17(13-18)20(24)22-9-11-23(12-10-22)27(25,26)19-8-6-15-3-1-2-4-16(15)14-19;/h1-4,6,8,14,17-18H,5,7,9-13,21H2;1H
InChIKeyYOKRWQWDUHAYMJ-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.22
Rot. Bonds3

About (3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride

(3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119678248) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119678248
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name(3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1
InChIInChI=1S/C20H25N3O3S.ClH/c21-18-7-5-17(13-18)20(24)22-9-11-23(12-10-22)27(25,26)19-8-6-15-3-1-2-4-16(15)14-19;/h1-4,6,8,14,17-18H,5,7,9-13,21H2;1H
InChIKeyYOKRWQWDUHAYMJ-UHFFFAOYSA-N
XLogP2.22
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119678354
5-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 119696028
1-[4-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone;hydrochloride
CID 119685679
(1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 24585778
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 124504662
3,4-dihydro-2H-chromen-3-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 134022212
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone
CID 119265307
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 55955194
2-(cyclopropylmethylamino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 119678254
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 61113905

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride (CID 119678248) is (3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride is Cl.NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is YOKRWQWDUHAYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c21-18-7-5-17(13-18)20(24)22-9-11-23(12-10-22)27(25,26)19-8-6-15-3-1-2-4-16(15)14-19;/h1-4,6,8,14,17-18H,5,7,9-13,21H2;1H.
What are the key properties of (3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride?
(3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119678248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).