N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide

C19H33N3O4S — CID 97091267

IUPACN-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide
SMILESC[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)CCC1=O
InChIInChI=1S/C19H33N3O4S/c1-15-14-16(8-9-18(15)23)19(24)21-10-12-22(13-11-21)27(25,26)20(2)17-6-4-3-5-7-17/h15-17H,3-14H2,1-2H3/t15-,16+/m1/s1
InChIKeyHSHLRZFYBFUPOB-CVEARBPZSA-N
MW399.56 g/mol
LogP1.65
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide

N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide (PubChem CID 97091267) has the molecular formula C19H33N3O4S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide
PubChem CID97091267
Molecular FormulaC19H33N3O4S
Molecular Weight399.56 g/mol
Exact Mass399.22
IUPAC NameN-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide
SMILESC[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)CCC1=O
InChIInChI=1S/C19H33N3O4S/c1-15-14-16(8-9-18(15)23)19(24)21-10-12-22(13-11-21)27(25,26)20(2)17-6-4-3-5-7-17/h15-17H,3-14H2,1-2H3/t15-,16+/m1/s1
InChIKeyHSHLRZFYBFUPOB-CVEARBPZSA-N
XLogP1.65
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide with MolForge

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Related Compounds

4-(2-aminopropanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 119292580
1-[1-[cyclohexyl(methyl)sulfamoyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 22552859
N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide
CID 79119914
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 119729430
4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 119292583
4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 55696513
N-cyclohexyl-N-methyl-4-[4-(trifluoromethyl)benzoyl]piperazine-1-sulfonamide
CID 34107789
4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 120560520
3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid
CID 122019342
4-(cyclopropanecarbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 60738795
N-cyclohexyl-N-methyl-4-[3-(4-methylphenyl)thiophene-2-carbonyl]piperazine-1-sulfonamide
CID 55599951
4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide
CID 128943193

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide (CID 97091267) is N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide is C[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)CCC1=O.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide?
The InChIKey is HSHLRZFYBFUPOB-CVEARBPZSA-N. The full InChI is InChI=1S/C19H33N3O4S/c1-15-14-16(8-9-18(15)23)19(24)21-10-12-22(13-11-21)27(25,26)20(2)17-6-4-3-5-7-17/h15-17H,3-14H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide?
N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide has a molecular weight of 399.56 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[(1S,3R)-3-methyl-4-oxocyclohexanecarbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 97091267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).