1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine

C13H26N4O3S — CID 60894938

IUPAC1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine
SMILESCN(C1CCCCC1)S(=O)(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C13H26N4O3S/c1-16(12-5-3-2-4-6-12)21(19,20)15-11-13(18)17-9-7-14-8-10-17/h12,14-15H,2-11H2,1H3
InChIKeyKCQHBAZOSSGCLP-UHFFFAOYSA-N
MW318.44 g/mol
LogP-0.48
Rot. Bonds5

About 1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine

1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine (PubChem CID 60894938) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine.

Molecular Properties

Compound Name1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine
PubChem CID60894938
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine
SMILESCN(C1CCCCC1)S(=O)(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C13H26N4O3S/c1-16(12-5-3-2-4-6-12)21(19,20)15-11-13(18)17-9-7-14-8-10-17/h12,14-15H,2-11H2,1H3
InChIKeyKCQHBAZOSSGCLP-UHFFFAOYSA-N
XLogP-0.48
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclopentanesulfonamide
CID 115752221
N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 119967617
1-[2-(dimethylsulfamoylamino)acetyl]-4-methylpiperidine
CID 112991016
2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43423493
4-[methyl(2-methylpropylsulfamoyl)amino]azepane
CID 107172951
N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
CID 119402234
N-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-ylbenzenesulfonamide
CID 50788565
N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride
CID 119260097
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]acetamide
CID 47157246
N-cycloheptyl-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50775957

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine?
The IUPAC name of 1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine (CID 60894938) is 1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine.
What is the SMILES notation for 1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine?
The canonical SMILES for 1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine is CN(C1CCCCC1)S(=O)(=O)NCC(=O)N1CCNCC1.
What is the InChIKey of 1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine?
The InChIKey is KCQHBAZOSSGCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-16(12-5-3-2-4-6-12)21(19,20)15-11-13(18)17-9-7-14-8-10-17/h12,14-15H,2-11H2,1H3.
What are the key properties of 1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine?
1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine has a molecular weight of 318.44 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine is sourced from PubChem (CID 60894938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).