N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C17H27N3O3S — CID 110811075

IUPACN-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-14-5-7-15(8-6-14)24(22,23)20-11-9-19(10-12-20)16(21)18-13-17(2,3)4/h5-8H,9-13H2,1-4H3,(H,18,21)
InChIKeyUOUCUSRIHYSNIG-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.06
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 110811075) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID110811075
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-14-5-7-15(8-6-14)24(22,23)20-11-9-19(10-12-20)16(21)18-13-17(2,3)4/h5-8H,9-13H2,1-4H3,(H,18,21)
InChIKeyUOUCUSRIHYSNIG-UHFFFAOYSA-N
XLogP2.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955
4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 9266280
4-(3-chlorophenyl)sulfonyl-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110811211
N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16769203
N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 23767591
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9495863
4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide
CID 108915281
2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119265301
4-(benzenesulfonyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide
CID 108893148
N-[(3-fluorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108898628
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 122561933

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 110811075) is N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)C)CC2)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is UOUCUSRIHYSNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14-5-7-15(8-6-14)24(22,23)20-11-9-19(10-12-20)16(21)18-13-17(2,3)4/h5-8H,9-13H2,1-4H3,(H,18,21).
What are the key properties of N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 110811075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).