(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone

C16H23N3O3S — CID 119265347

IUPAC(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCC1
InChIInChI=1S/C16H23N3O3S/c17-16(8-4-5-9-16)15(20)18-10-12-19(13-11-18)23(21,22)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2
InChIKeyWWFROSMPFCQGQO-UHFFFAOYSA-N
MW337.44 g/mol
LogP0.79
Rot. Bonds3

About (1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone

(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone (PubChem CID 119265347) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone
PubChem CID119265347
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCC1
InChIInChI=1S/C16H23N3O3S/c17-16(8-4-5-9-16)15(20)18-10-12-19(13-11-18)23(21,22)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2
InChIKeyWWFROSMPFCQGQO-UHFFFAOYSA-N
XLogP0.79
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119265360
(1-aminocyclohexyl)-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methanone
CID 119302953
(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119265625
(1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119265567
(1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266651
(1-aminocyclopentyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119265754
2-amino-1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]ethanone
CID 98781730
[4-(benzenesulfonyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 39906268
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone
CID 46561290
3-amino-1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119302930
(1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone
CID 119826679
4-(benzenesulfonyl)piperazine-1-carbothioamide
CID 2052028

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone (CID 119265347) is (1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone is NC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone?
The InChIKey is WWFROSMPFCQGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c17-16(8-4-5-9-16)15(20)18-10-12-19(13-11-18)23(21,22)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2.
What are the key properties of (1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone?
(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone has a molecular weight of 337.44 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119265347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).