(3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride

C15H29ClN4O4S — CID 119727809

IUPAC(3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C15H28N4O4S.ClH/c16-14-3-1-2-13(12-14)15(20)17-4-6-18(7-5-17)24(21,22)19-8-10-23-11-9-19;/h13-14H,1-12,16H2;1H
InChIKeyBOTARWDXWGKVLR-UHFFFAOYSA-N
MW396.94 g/mol
LogP-0.35
Rot. Bonds3

About (3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride

(3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119727809) has the molecular formula C15H29ClN4O4S and a molecular weight of 396.94 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119727809
Molecular FormulaC15H29ClN4O4S
Molecular Weight396.94 g/mol
Exact Mass396.16
IUPAC Name(3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C15H28N4O4S.ClH/c16-14-3-1-2-13(12-14)15(20)17-4-6-18(7-5-17)24(21,22)19-8-10-23-11-9-19;/h13-14H,1-12,16H2;1H
InChIKeyBOTARWDXWGKVLR-UHFFFAOYSA-N
XLogP-0.35
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672794
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552707
[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 120622918
(3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119897515

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride (CID 119727809) is (3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride is Cl.NC1CCCC(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is BOTARWDXWGKVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4S.ClH/c16-14-3-1-2-13(12-14)15(20)17-4-6-18(7-5-17)24(21,22)19-8-10-23-11-9-19;/h13-14H,1-12,16H2;1H.
What are the key properties of (3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride?
(3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119727809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).