N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide

C16H22N4O3S — CID 110811220

IUPACN-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C16H22N4O3S/c1-16(2,3)18-15(21)19-8-10-20(11-9-19)24(22,23)14-7-5-4-6-13(14)12-17/h4-7H,8-11H2,1-3H3,(H,18,21)
InChIKeyGFFHHMAQHYWXDZ-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.37
Rot. Bonds2

About N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide

N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 110811220) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide
PubChem CID110811220
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C16H22N4O3S/c1-16(2,3)18-15(21)19-8-10-20(11-9-19)24(22,23)14-7-5-4-6-13(14)12-17/h4-7H,8-11H2,1-3H3,(H,18,21)
InChIKeyGFFHHMAQHYWXDZ-UHFFFAOYSA-N
XLogP1.37
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811219
4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
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4-(2-cyanophenyl)sulfonyl-N-(5,5-dimethylhexyl)piperazine-1-carboxamide
CID 86890686
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34665578
2-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
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2-[4-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 30879579
2-[(4-propanoyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile
CID 110796557
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide
CID 110750534
2-[4-(4-chlorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822428
2-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822233
2-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822354
2-[4-(2-iodobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27807016

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide (CID 110811220) is N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1.
What is the InChIKey of N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is GFFHHMAQHYWXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-16(2,3)18-15(21)19-8-10-20(11-9-19)24(22,23)14-7-5-4-6-13(14)12-17/h4-7H,8-11H2,1-3H3,(H,18,21).
What are the key properties of N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide?
N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 110811220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).