N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide

C17H30N4O5S — CID 55564961

IUPACN-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H30N4O5S/c1-18(15-5-3-2-4-6-15)27(24,25)21-9-7-19(8-10-21)16(22)17(23)20-11-13-26-14-12-20/h15H,2-14H2,1H3
InChIKeyMXXBRFXQYCYOOY-UHFFFAOYSA-N
MW402.52 g/mol
LogP-0.50
Rot. Bonds3

About N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide

N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide (PubChem CID 55564961) has the molecular formula C17H30N4O5S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide
PubChem CID55564961
Molecular FormulaC17H30N4O5S
Molecular Weight402.52 g/mol
Exact Mass402.19
IUPAC NameN-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H30N4O5S/c1-18(15-5-3-2-4-6-15)27(24,25)21-9-7-19(8-10-21)16(22)17(23)20-11-13-26-14-12-20/h15H,2-14H2,1H3
InChIKeyMXXBRFXQYCYOOY-UHFFFAOYSA-N
XLogP-0.50
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-[2-(4-morpholinyl)-2-oxoethyl]methanesulfonamide
CID 954166
N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide
CID 21455906
1-(2-Methylpiperidin-1-yl)-2-morpholin-4-ylethanone
CID 91029700
2-[4-(1-Methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 139421870
2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 36931343
2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2S)-pentan-2-yl]acetamide
CID 36931347
2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-pentan-2-ylacetamide
CID 42949638
1-(2-Methylpiperidin-1-yl)-2-morpholin-4-ylethane-1,2-dione
CID 45587210
N-methyl-N-(4-methylcyclohexyl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 45872249
2-[4-[2-(2-Methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55409375
2-[4-[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55412865
2-[4-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55412886

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide (CID 55564961) is N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide?
The InChIKey is MXXBRFXQYCYOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O5S/c1-18(15-5-3-2-4-6-15)27(24,25)21-9-7-19(8-10-21)16(22)17(23)20-11-13-26-14-12-20/h15H,2-14H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide?
N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide has a molecular weight of 402.52 g/mol, XLogP of -0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-sulfonamide is sourced from PubChem (CID 55564961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).