3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid

C15H28N4O5S — CID 122019342

IUPAC3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C15H28N4O5S/c1-17(13-5-3-2-4-6-13)25(23,24)19-11-9-18(10-12-19)15(22)16-8-7-14(20)21/h13H,2-12H2,1H3,(H,16,22)(H,20,21)
InChIKeyFLXLMHQNOAHQSF-UHFFFAOYSA-N
MW376.48 g/mol
LogP0.30
Rot. Bonds6

About 3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid

3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid (PubChem CID 122019342) has the molecular formula C15H28N4O5S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid
PubChem CID122019342
Molecular FormulaC15H28N4O5S
Molecular Weight376.48 g/mol
Exact Mass376.18
IUPAC Name3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C15H28N4O5S/c1-17(13-5-3-2-4-6-13)25(23,24)19-11-9-18(10-12-19)15(22)16-8-7-14(20)21/h13H,2-12H2,1H3,(H,16,22)(H,20,21)
InChIKeyFLXLMHQNOAHQSF-UHFFFAOYSA-N
XLogP0.30
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide
CID 128943193
4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 55696513
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 55696935
4-(2-aminopropanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 119292580
4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 120560520
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
CID 55699202
3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 55988325
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
methyl 4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]benzoate
CID 55599328
4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 119729438
3-[(4-methyl-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 61193497

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid (CID 122019342) is 3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid is CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCCC(=O)O)CC1.
What is the InChIKey of 3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid?
The InChIKey is FLXLMHQNOAHQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O5S/c1-17(13-5-3-2-4-6-13)25(23,24)19-11-9-18(10-12-19)15(22)16-8-7-14(20)21/h13H,2-12H2,1H3,(H,16,22)(H,20,21).
What are the key properties of 3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid?
3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid has a molecular weight of 376.48 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122019342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).