(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride

C17H26ClN3O3S — CID 119265360

IUPAC(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C17H25N3O3S.ClH/c18-17(9-5-2-6-10-17)16(21)19-11-13-20(14-12-19)24(22,23)15-7-3-1-4-8-15;/h1,3-4,7-8H,2,5-6,9-14,18H2;1H
InChIKeyRBJDALJJSKDWDZ-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.60
Rot. Bonds3

About (1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride

(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119265360) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119265360
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C17H25N3O3S.ClH/c18-17(9-5-2-6-10-17)16(21)19-11-13-20(14-12-19)24(22,23)15-7-3-1-4-8-15;/h1,3-4,7-8H,2,5-6,9-14,18H2;1H
InChIKeyRBJDALJJSKDWDZ-UHFFFAOYSA-N
XLogP1.60
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone
CID 119265347
(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
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 102553352
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone
CID 46561290
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
3-amino-1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119302930

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride (CID 119265360) is (1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride is Cl.NC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is RBJDALJJSKDWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c18-17(9-5-2-6-10-17)16(21)19-11-13-20(14-12-19)24(22,23)15-7-3-1-4-8-15;/h1,3-4,7-8H,2,5-6,9-14,18H2;1H.
What are the key properties of (1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride?
(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119265360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).