4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide

C14H30N4O3S — CID 122156185

IUPAC4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)NCCS(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C14H30N4O3S/c1-12(2)11-17-6-8-18(9-7-17)14(19)15-5-10-22(20,21)16-13(3)4/h12-13,16H,5-11H2,1-4H3,(H,15,19)
InChIKeyLOPSJMSLUKCEMX-UHFFFAOYSA-N
MW334.49 g/mol
LogP0.30
Rot. Bonds7

About 4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide

4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide (PubChem CID 122156185) has the molecular formula C14H30N4O3S and a molecular weight of 334.49 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide
PubChem CID122156185
Molecular FormulaC14H30N4O3S
Molecular Weight334.49 g/mol
Exact Mass334.20
IUPAC Name4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide
SMILESCC(C)CN1CCN(C(=O)NCCS(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C14H30N4O3S/c1-12(2)11-17-6-8-18(9-7-17)14(19)15-5-10-22(20,21)16-13(3)4/h12-13,16H,5-11H2,1-4H3,(H,15,19)
InChIKeyLOPSJMSLUKCEMX-UHFFFAOYSA-N
XLogP0.30
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
N-(2-cyclopentylethyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 78892600
3-methoxy-4-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 103159285
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103978
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
4-[(4-fluorophenyl)methyl]-N-[2-(methylsulfamoyl)ethyl]-1,4-diazepane-1-carboxamide
CID 122570069
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 106341217
4-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobut-2-enoic acid
CID 76948971

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide (CID 122156185) is 4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide is CC(C)CN1CCN(C(=O)NCCS(=O)(=O)NC(C)C)CC1.
What is the InChIKey of 4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide?
The InChIKey is LOPSJMSLUKCEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O3S/c1-12(2)11-17-6-8-18(9-7-17)14(19)15-5-10-22(20,21)16-13(3)4/h12-13,16H,5-11H2,1-4H3,(H,15,19).
What are the key properties of 4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide?
4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 122156185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).