tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate

C20H33N3O5S — CID 18436785

IUPACtert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate
SMILESCC(C)(COc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)NS(C)(=O)=O
InChIInChI=1S/C20H33N3O5S/c1-19(2,3)28-18(24)23-13-11-22(12-14-23)16-9-7-8-10-17(16)27-15-20(4,5)21-29(6,25)26/h7-10,21H,11-15H2,1-6H3
InChIKeyAPPZUZZQFRGRFG-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.45
Rot. Bonds6

About tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate

tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate (PubChem CID 18436785) has the molecular formula C20H33N3O5S and a molecular weight of 427.57 g/mol. Its IUPAC name is tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate
PubChem CID18436785
Molecular FormulaC20H33N3O5S
Molecular Weight427.57 g/mol
Exact Mass427.21
IUPAC Nametert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate
SMILESCC(C)(COc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)NS(C)(=O)=O
InChIInChI=1S/C20H33N3O5S/c1-19(2,3)28-18(24)23-13-11-22(12-14-23)16-9-7-8-10-17(16)27-15-20(4,5)21-29(6,25)26/h7-10,21H,11-15H2,1-6H3
InChIKeyAPPZUZZQFRGRFG-UHFFFAOYSA-N
XLogP2.45
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methane;2-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenoxy]acetic acid;N-methylsulfonyl-2-(2-piperazin-1-ylphenoxy)acetamide
CID 158528785
tert-butyl 4-[2-(ethylsulfonylamino)phenyl]piperazine-1-carboxylate
CID 69410613
tert-butyl 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 9034002
tert-butyl 4-(2-methoxyphenyl)-1,4-diazepane-1-carboxylate;1-(2-methoxyphenyl)-1,4-diazepane
CID 161383472
4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid
CID 18436761
tert-butyl N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]carbamate
CID 58683834
tert-butyl 4-[2-(2-amino-3-methoxy-3-oxopropyl)phenyl]piperazine-1-carboxylate
CID 170883717
tert-butyl 4-[2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]piperazine-1-carboxylate
CID 142156540
tert-butyl 4-[2-[3-methylbutyl(methylsulfonyl)amino]phenyl]piperazine-1-carboxylate
CID 69411084
tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate
CID 69243250
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
tert-butyl 4-[2-[(1S)-1-aminoethyl]phenyl]piperazine-1-carboxylate
CID 67625337

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate (CID 18436785) is tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate is CC(C)(COc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)NS(C)(=O)=O.
What is the InChIKey of tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate?
The InChIKey is APPZUZZQFRGRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O5S/c1-19(2,3)28-18(24)23-13-11-22(12-14-23)16-9-7-8-10-17(16)27-15-20(4,5)21-29(6,25)26/h7-10,21H,11-15H2,1-6H3.
What are the key properties of tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate has a molecular weight of 427.57 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 18436785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).