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

C15H29ClN4O4S — CID 119727809

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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